ChemSpider 2D Image | N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide | C25H30N6O2

N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide

  • Molecular FormulaC25H30N6O2
  • Average mass446.545 Da
  • Monoisotopic mass446.243011 Da
  • ChemSpider ID32513760

  • 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)-hexanamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-oxo- [ACD/Index Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide [ACD/IUPAC Name]
N-[(1S)-1-(1H-Benzimidazol-2-yl)-3-méthylbutyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide [French] [ACD/IUPAC Name]
1630918-39-6 [RN]
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide

    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: 1.658
    Molar Refractivity: 128.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 418.08
    ACD/KOC (pH 5.5): 2303.70
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 650.56
    ACD/KOC (pH 7.4): 3584.68
    Polar Surface Area: 103 Å2
    Polarizability: 50.8±0.5 10-24cm3
    Surface Tension: 51.1±7.0 dyne/cm
    Molar Volume: 347.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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