ChemSpider 2D Image | N-(3-Isopropoxypropyl)-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 | C33H34N4O5

N-(3-Isopropoxypropyl)-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 FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID17471554

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzamide, N-[3-(1-methylethoxy)propyl]-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-(3-Isopropoxypropyl)-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-(3-Isopropoxypropyl)-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-(3-Isopropoxypropyl)-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]
956970-46-0 [RN]
N-(3-isopropoxypropyl)-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, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.684
    Molar Refractivity: 158.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 4.11
    ACD/BCF (pH 5.5): 786.54
    ACD/KOC (pH 5.5): 4114.89
    ACD/LogD (pH 7.4): 4.11
    ACD/BCF (pH 7.4): 786.54
    ACD/KOC (pH 7.4): 4114.89
    Polar Surface Area: 104 Å2
    Polarizability: 63.0±0.5 10-24cm3
    Surface Tension: 68.7±5.0 dyne/cm
    Molar Volume: 418.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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