ChemSpider 2D Image | N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide | C24H28N6O2

N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide

  • Molecular FormulaC24H28N6O2
  • Average mass432.518 Da
  • Monoisotopic mass432.227386 Da
  • ChemSpider ID32515064

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,3-Benzotriazine-3(4H)-propanamide, N-[(1S)-2-methyl-1-[1-(1-methylethyl)-1H-benzimidazol-2-yl]propyl]-4-oxo- [ACD/Index Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-méthylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide [French] [ACD/IUPAC Name]
1630910-04-1 [RN]
N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.660
    Molar Refractivity: 124.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.90
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 287.97
    ACD/KOC (pH 5.5): 1783.47
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 431.63
    ACD/KOC (pH 7.4): 2673.16
    Polar Surface Area: 92 Å2
    Polarizability: 49.2±0.5 10-24cm3
    Surface Tension: 49.3±7.0 dyne/cm
    Molar Volume: 336.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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