ChemSpider 2D Image | 2-[(11aS)-5-(3-Chlorophenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(3-methoxypropyl)benzamide | C30H27ClN4O4

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

  • Molecular FormulaC30H27ClN4O4
  • Average mass543.013 Da
  • Monoisotopic mass542.172058 Da
  • ChemSpider ID17469543

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-[(11aS)-5-(3-Chlorophenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(3-methoxypropyl)benzamide [ACD/IUPAC Name]
2-[(11aS)-5-(3-Chlorophényl)-1,3-dioxo-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(3-méthoxypropyl)benzamide [French] [ACD/IUPAC Name]
2-[(11aS)-5-(3-Chlorphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(3-methoxypropyl)benzamid [German] [ACD/IUPAC Name]
Benzamide, 2-[(11aS)-5-(3-chlorophenyl)-5,6,11,11a-tetrahydro-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(3-methoxypropyl)- [ACD/Index Name]
2-((11aS)-5-(3-chlorophenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)-N-(3-methoxypropyl)benzamide
956914-86-6 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.720
    Molar Refractivity: 148.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 4.03
    ACD/BCF (pH 5.5): 679.33
    ACD/KOC (pH 5.5): 3705.14
    ACD/LogD (pH 7.4): 4.03
    ACD/BCF (pH 7.4): 679.33
    ACD/KOC (pH 7.4): 3705.14
    Polar Surface Area: 95 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 75.4±5.0 dyne/cm
    Molar Volume: 375.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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