ChemSpider 2D Image | 2-[4-(2-Methyl-2-propanyl)phenyl]-1,4-dihydro-5H-1,3,4-benzotriazepin-5-one | C18H19N3O

2-[4-(2-Methyl-2-propanyl)phenyl]-1,4-dihydro-5H-1,3,4-benzotriazepin-5-one

  • Molecular FormulaC18H19N3O
  • Average mass293.363 Da
  • Monoisotopic mass293.152802 Da
  • ChemSpider ID28611825

More details:

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

2-[4-(2-Methyl-2-propanyl)phenyl]-1,4-dihydro-5H-1,3,4-benzotriazepin-5-on [German] [ACD/IUPAC Name]
2-[4-(2-Methyl-2-propanyl)phenyl]-1,4-dihydro-5H-1,3,4-benzotriazepin-5-one [ACD/IUPAC Name]
2-[4-(2-Méthyl-2-propanyl)phényl]-1,4-dihydro-5H-1,3,4-benzotriazépin-5-one [French] [ACD/IUPAC Name]
5H-1,3,4-Benzotriazepin-5-one, 2-[4-(1,1-dimethylethyl)phenyl]-3,4-dihydro- [ACD/Index Name]
1374509-71-3 [RN]
2-(4-(tert-Butyl)phenyl)-3H-benzo[e][1,2,4]triazepin-5(4H)-one
2-(4-tert-butylphenyl)-3,4-dihydro-1,3,4-benzotriazepin-5-one
2-(4-tert-butylphenyl)-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one
MFCD22374898 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.617
    Molar Refractivity: 87.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.94
    ACD/LogD (pH 5.5): 3.68
    ACD/BCF (pH 5.5): 369.20
    ACD/KOC (pH 5.5): 2393.67
    ACD/LogD (pH 7.4): 3.68
    ACD/BCF (pH 7.4): 369.68
    ACD/KOC (pH 7.4): 2396.85
    Polar Surface Area: 53 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 42.9±7.0 dyne/cm
    Molar Volume: 251.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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