ChemSpider 2D Image | N-Cyclooctyl-2-[(11aS)-5-(3-methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzamide | C35H36N4O4

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

  • Molecular FormulaC35H36N4O4
  • Average mass576.685 Da
  • Monoisotopic mass576.273682 Da
  • ChemSpider ID17471416

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzamide, N-cyclooctyl-2-[(11aS)-5,6,11,11a-tetrahydro-5-(3-methoxyphenyl)-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
N-Cyclooctyl-2-[(11aS)-5-(3-methoxyphenyl)-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-Cyclooctyl-2-[(11aS)-5-(3-methoxyphenyl)-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-Cyclooctyl-2-[(11aS)-5-(3-méthoxyphényl)-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]
956776-23-1 [RN]
N-cyclooctyl-2-((11aS)-5-(3-methoxyphenyl)-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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.699
    Molar Refractivity: 164.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.38
    ACD/LogD (pH 5.5): 5.83
    ACD/BCF (pH 5.5): 15903.97
    ACD/KOC (pH 5.5): 35401.78
    ACD/LogD (pH 7.4): 5.83
    ACD/BCF (pH 7.4): 15903.97
    ACD/KOC (pH 7.4): 35401.78
    Polar Surface Area: 95 Å2
    Polarizability: 65.2±0.5 10-24cm3
    Surface Tension: 70.7±5.0 dyne/cm
    Molar Volume: 426.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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