ChemSpider 2D Image | N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide | C25H30N6O2

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

  • Molecular FormulaC25H30N6O2
  • Average mass446.545 Da
  • Monoisotopic mass446.243011 Da
  • ChemSpider ID32513702

  • 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)-butanamide, 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]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide [ACD/IUPAC Name]
N-[(1S)-1-(1-Isopropyl-1H-benzimidazol-2-yl)-2-méthylpropyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide [French] [ACD/IUPAC Name]
1630935-58-8 [RN]
N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

    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: 1.651
    Molar Refractivity: 128.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.11
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 540.69
    ACD/KOC (pH 5.5): 2792.81
    ACD/LogD (pH 7.4): 4.14
    ACD/BCF (pH 7.4): 817.30
    ACD/KOC (pH 7.4): 4221.56
    Polar Surface Area: 92 Å2
    Polarizability: 51.0±0.5 10-24cm3
    Surface Tension: 48.5±7.0 dyne/cm
    Molar Volume: 352.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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