ChemSpider 2D Image | GSK2982772 | C20H19N5O3

GSK2982772

  • Molecular FormulaC20H19N5O3
  • Average mass377.397 Da
  • Monoisotopic mass377.148804 Da
  • ChemSpider ID58805661

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(S)-3-Benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide
1622848-92-3 [RN]
1H-1,2,4-Triazole-5-carboxamide, 3-(phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]- [ACD/Index Name]
3-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazol-5-carboxamid [German] [ACD/IUPAC Name]
3-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide [ACD/IUPAC Name]
3-Benzyl-N-[(3S)-5-méthyl-4-oxo-2,3,4,5-tétrahydro-1,5-benzoxazépin-3-yl]-1H-1,2,4-triazole-5-carboxamide [French] [ACD/IUPAC Name]
GSK2982772
(s)-5-benzyl-n-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1h-1,2,4-triazole-3-carboxamide
1622848-92-3 (free base)
3-(phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

T5W3M0VO9B [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.676
    Molar Refractivity: 100.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.60
    ACD/KOC (pH 5.5): 134.29
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 5.51
    ACD/KOC (pH 7.4): 112.05
    Polar Surface Area: 100 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 77.0±5.0 dyne/cm
    Molar Volume: 268.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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