ChemSpider 2D Image | N-Butyl-2-[(11aS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide | C33H34N4O3

N-Butyl-2-[(11aS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID17469970

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzamide, N-butyl-2-[(11aS)-5,6,11,11a-tetrahydro-5-[4-(1-methylethyl)phenyl]-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
N-Butyl-2-[(11aS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamid [German] [ACD/IUPAC Name]
N-Butyl-2-[(11aS)-5-(4-isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide [ACD/IUPAC Name]
N-Butyl-2-[(11aS)-5-(4-isopropylphényl)-1,3-dioxo-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide [French] [ACD/IUPAC Name]
956967-52-5 [RN]
N-butyl-2-((11aS)-5-(4-isopropylphenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamide

    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: 1.690
    Molar Refractivity: 155.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.21
    ACD/LogD (pH 5.5): 5.25
    ACD/BCF (pH 5.5): 5720.75
    ACD/KOC (pH 5.5): 17028.52
    ACD/LogD (pH 7.4): 5.25
    ACD/BCF (pH 7.4): 5720.75
    ACD/KOC (pH 7.4): 17028.52
    Polar Surface Area: 86 Å2
    Polarizability: 61.6±0.5 10-24cm3
    Surface Tension: 67.1±5.0 dyne/cm
    Molar Volume: 406.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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