(Z)-N-benzyl-2-(4-oxo-3-phenyl-2-(phenylimino)thiazolidin-5-yl)acetamide , CAS No.302548-84-1

CAS: 302548-84-1 Cat. No.: Z1244897 Peso molecular: 415.5

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CNC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)C4=CC=CC=C4
• IUPAC Name: N-benzyl-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
• InChIKey: KXEAHLJDXFWZHE-UHFFFAOYSA-N
• INCHI: 1S/C24H21N3O2S/c28-22(25-17-18-10-4-1-5-11-18)16-21-23(29)27(20-14-8-3-9-15-20)24(30-21)26-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,25,28)
• Peso molecular: 415.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiazolidines Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Thiazolidine - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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: 415.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 415.135 Da
• Monoisotopic Mass: 415.135 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 620.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1