Opanixil , CAS No.152939-42-9

CAS: 152939-42-9 Cat. No.: O1256804 Formule: C₁₉H₂₁F₃N₆O₂ Poids moléculaire: 422.4

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Specifications

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Noms et identifiants

• Sourires canoniques: CCN(C1=CC=CC(=C1)C(F)(F)F)C(=O)C2=CN=C(N=C2N)N3CC(NC3=O)(C)C
• IUPAC Name: 4-amino-2-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-N-ethyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
• InChIKey: ZAVGHCJPBOQKEE-UHFFFAOYSA-N
• INCHI: 1S/C19H21F3N6O2/c1-4-27(12-7-5-6-11(8-12)19(20,21)22)15(29)13-9-24-16(25-14(13)23)28-10-18(2,3)26-17(28)30/h5-9H,4,10H2,1-3H3,(H,26,30)(H2,23,24,25)
• Poids moléculaire: 422.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Trifluoromethylbenzenes Pyrimidinecarboxamides Aminopyrimidines and derivatives Imidazolidinones Imidolactams Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Ureas Azacyclic compounds Primary amines Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Trifluoromethylbenzene - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Aminopyrimidine - Imidazolidinone - Imidolactam - Pyrimidine - Imidazolidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 422.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 422.168 Da
• Monoisotopic Mass: 422.168 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 659.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 152939-42-9, the molecular formula is C19H21F3N6O2, and the molecular weight is 422.4 g/mol. InChIKey ZAVGHCJPBOQKEE-UHFFFAOYSA-N.

What documentation is provided?

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