ChemSpider 2D Image | 3-[(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]-N-[2-(4-morpholinyl)ethyl]benzamide | C27H29N5O4

3-[(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]-N-[2-(4-morpholinyl)ethyl]benzamide

  • Molecular FormulaC27H29N5O4
  • Average mass487.550 Da
  • Monoisotopic mass487.221954 Da
  • ChemSpider ID22871834

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(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]-N-[2-(4-morpholinyl)ethyl]benzamid [German] [ACD/IUPAC Name]
3-[(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]-N-[2-(4-morpholinyl)ethyl]benzamide [ACD/IUPAC Name]
3-[(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]-N-[2-(4-morpholinyl)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-(4-morpholinyl)ethyl]-3-[(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]
(S)-3-(11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)-N-(2-morpholinoethyl)benzamide
956184-47-7 [RN]
MCULE-6172828468
MolPort-002-523-612
STOCK1N-48934
ZINC20609761

    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: 1.718
    Molar Refractivity: 134.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.41
    ACD/LogD (pH 5.5): 0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.62
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 4.25
    ACD/KOC (pH 7.4): 93.07
    Polar Surface Area: 98 Å2
    Polarizability: 53.3±0.5 10-24cm3
    Surface Tension: 77.6±5.0 dyne/cm
    Molar Volume: 341.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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