ChemSpider 2D Image | 2-[(11bS)-8-Methoxy-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-methoxyphenyl)ethyl]benzamide | C31H30N4O5

2-[(11bS)-8-Methoxy-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-methoxyphenyl)ethyl]benzamide

  • Molecular FormulaC31H30N4O5
  • Average mass538.594 Da
  • Monoisotopic mass538.221619 Da
  • ChemSpider ID22871713

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(11bS)-8-Methoxy-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-methoxyphenyl)ethyl]benzamid [German] [ACD/IUPAC Name]
2-[(11bS)-8-Methoxy-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-methoxyphenyl)ethyl]benzamide [ACD/IUPAC Name]
2-[(11bS)-8-Méthoxy-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-méthoxyphényl)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-(4-methoxyphenyl)ethyl]-2-[(11bS)-5,6,11,11b-tetrahydro-8-methoxy-11b-methyl-1,3-dioxo-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
(S)-2-(8-methoxy-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-(4-methoxyphenethyl)benzamide
956746-82-0 [RN]
MCULE-1694504305
MolPort-002-522-631
STOCK1N-47543

    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: 1.707
    Molar Refractivity: 149.7±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 3.28
    ACD/BCF (pH 5.5): 183.93
    ACD/KOC (pH 5.5): 1454.26
    ACD/LogD (pH 7.4): 3.28
    ACD/BCF (pH 7.4): 183.93
    ACD/KOC (pH 7.4): 1454.26
    Polar Surface Area: 104 Å2
    Polarizability: 59.4±0.5 10-24cm3
    Surface Tension: 73.3±5.0 dyne/cm
    Molar Volume: 384.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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