AZD-7295 - ≥95% , CAS No.929890-64-2

CAS: 929890-64-2 Cat. No.: A770806 PubChem CID: 57339445

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=C(C=CC(=C4)NC(=O)C5CC5)OC(F)(F)F
• IUPAC Name: 4-[5-(cyclopropanecarbonylamino)-2-(trifluoromethoxy)phenyl]-N-[4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
• InChIKey: MAQDQJWCSSCURR-UHFFFAOYSA-N
• INCHI: 1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)
• Isómeros SMILES: CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=C(C=CC(=C4)NC(=O)C5CC5)OC(F)(F)F
• CAS alternativo: 929890-64-2
• PubChem CID: 57339445

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Biphenyls and derivatives Benzamides Benzoyl derivatives Benzylamines N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines N-alkylpiperazines Organic sulfonamides Cyclopropanecarboxylic acids and derivatives Organosulfonamides Sulfonyls Trialkylamines Amino acids and derivatives Trihalomethanes Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Biphenyl - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Benzylamine - Phenylmethylamine - N-arylamide - Phenol ether - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Cyclopropanecarboxylic acid or derivatives - Piperazine - Organosulfonic acid amide - Organic sulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Trihalomethane - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Amine - Carbonyl group - Halomethane - Alkyl halide - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organonitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 644.700 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 644.228 Da
• Monoisotopic Mass: 644.228 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1