N-[5-[(4-Methoxyphenyl)methyl]-2-thiazolyl]-alpha-phenylbenzeneacetamide , CAS No.303092-96-8

CAS: 303092-96-8 Cat. No.: N984515 Peso molecular: 414.500 Número EC: 652-869-6

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
• InChIKey: CUMSHRKWYBMIKM-UHFFFAOYSA-N
• INCHI: 1S/C25H22N2O2S/c1-29-21-14-12-18(13-15-21)16-22-17-26-25(30-22)27-24(28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,23H,16H2,1H3,(H,26,27,28)
• Peso molecular: 414.500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylacetamides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers 2,5-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenylacetamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 414.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 414.14 Da
• Monoisotopic Mass: 414.14 Da
• Topological Polar Surface Area: 79.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 507.000
• 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