Cas no 51487-26-4 (Acetamide, 2-[(1,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-phenyl-)

Acetamide, 2-[(1,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-phenyl- structure
51487-26-4 structure
Product Name:Acetamide, 2-[(1,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-phenyl-
CAS No:51487-26-4
MF:C16H13N3O2S
MW:311.358321905136
CID:362194
PubChem ID:135492103
Update Time:2025-04-19

Acetamide, 2-[(1,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Acetamide, 2-[(1,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-phenyl-
    • 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]-N-phenylacetamide
    • AKOS001590541
    • AKOS002256521
    • Oprea1_518357
    • 2-[(4-OXO-3H-QUINAZOLIN-2-YL)SULFANYL]-N-PHENYLACETAMIDE
    • DTXSID20352371
    • Oprea1_322936
    • 2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]-N-phenylacetamide
    • CCG-197664
    • 2-((4-Oxo-1,4-dihydroquinazolin-2-yl)thio)-N-phenylacetamide
    • AB01276482-01
    • SR-01000262358
    • 2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-phenylacetamide
    • 2-[(4-HYDROXYQUINAZOLIN-2-YL)SULFANYL]-N-PHENYLACETAMIDE
    • SR-01000262358-1
    • HMS3532E14
    • ST078664
    • NCGC00275615-01
    • 51487-26-4
    • CHEMBL4177232
    • 2-[(4-oxo-3,4-dihydro-2-quinazolinyl)thio]-N-phenylacetamide
    • Inchi: 1S/C16H13N3O2S/c20-14(17-11-6-2-1-3-7-11)10-22-16-18-13-9-5-4-8-12(13)15(21)19-16/h1-9H,10H2,(H,17,20)(H,18,19,21)
    • InChI Key: KDRIURZVJMYZNJ-UHFFFAOYSA-N
    • SMILES: S(CC(NC1C=CC=CC=1)=O)C1=NC2C=CC=CC=2C(N1)=O

Computed Properties

  • Exact Mass: 311.07299
  • Monoisotopic Mass: 311.07284784g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 460
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 95.9?2

Experimental Properties

  • PSA: 70.56
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