ChemSpider 2D Image | (2S)-N-(2,2-Diphenylethyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide | C33H34N4O3

(2S)-N-(2,2-Diphenylethyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID17467538

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-(2,2-Diphenylethyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamid [German] [ACD/IUPAC Name]
(2S)-N-(2,2-Diphenylethyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide [ACD/IUPAC Name]
(2S)-N-(2,2-Diphényléthyl)-3-méthyl-2-[(11bS)-11b-méthyl-1,3-dioxo-5,6,11,11b-tétrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide [French] [ACD/IUPAC Name]
1H-Imidazo[1',5':1,2]pyrido[3,4-b]indole-2(3H)-acetamide, N-(2,2-diphenylethyl)-5,6,11,11b-tetrahydro-11b-methyl-α-(1-methylethyl)-1,3-dioxo-, (αS,11bS)- [ACD/Index Name]
(S)-N-(2,2-diphenylethyl)-3-methyl-2-((S)-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)butanamide
956925-85-2 [RN]

    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: 1.687
    Molar Refractivity: 155.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.89
    ACD/LogD (pH 5.5): 5.05
    ACD/BCF (pH 5.5): 4064.94
    ACD/KOC (pH 5.5): 13333.84
    ACD/LogD (pH 7.4): 5.05
    ACD/BCF (pH 7.4): 4064.95
    ACD/KOC (pH 7.4): 13333.84
    Polar Surface Area: 86 Å2
    Polarizability: 61.6±0.5 10-24cm3
    Surface Tension: 66.3±5.0 dyne/cm
    Molar Volume: 408.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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