ChemSpider 2D Image | 2-[(11aS)-1,3-Dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-hexylbenzamide | C32H32N4O3

2-[(11aS)-1,3-Dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-hexylbenzamide

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID17469540

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-[(11aS)-1,3-Dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-hexylbenzamid [German] [ACD/IUPAC Name]
2-[(11aS)-1,3-Dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-hexylbenzamide [ACD/IUPAC Name]
2-[(11aS)-1,3-Dioxo-5-phényl-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-hexylbenzamide [French] [ACD/IUPAC Name]
Benzamide, N-hexyl-2-[(11aS)-5,6,11,11a-tetrahydro-1,3-dioxo-5-phenyl-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
2-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)-N-hexylbenzamide
956914-84-4 [RN]
MCULE-7824670805
MolPort-002-531-425
STOCK1N-60767

    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: 1.699
    Molar Refractivity: 150.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.94
    ACD/LogD (pH 5.5): 5.92
    ACD/BCF (pH 5.5): 18669.00
    ACD/KOC (pH 5.5): 39705.90
    ACD/LogD (pH 7.4): 5.92
    ACD/BCF (pH 7.4): 18669.00
    ACD/KOC (pH 7.4): 39705.90
    Polar Surface Area: 86 Å2
    Polarizability: 59.8±0.5 10-24cm3
    Surface Tension: 69.6±5.0 dyne/cm
    Molar Volume: 390.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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