ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-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]benzamide | C29H24N4O5

N-(1,3-Benzodioxol-5-ylmethyl)-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]benzamide

  • Molecular FormulaC29H24N4O5
  • Average mass508.525 Da
  • Monoisotopic mass508.174683 Da
  • ChemSpider ID17465803

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(11bS)-5,6,11,11b-tetrahydro-11b-methyl-1,3-dioxo-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-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]benzamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-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]benzamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-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]benzamide [French] [ACD/IUPAC Name]
(S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)benzamide
956920-73-3 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.768
    Molar Refractivity: 138.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 3.04
    ACD/BCF (pH 5.5): 120.10
    ACD/KOC (pH 5.5): 1071.87
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 120.10
    ACD/KOC (pH 7.4): 1071.87
    Polar Surface Area: 104 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 85.9±5.0 dyne/cm
    Molar Volume: 333.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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