ChemSpider 2D Image | (2S)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-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]propanamide | C28H32N4O6

(2S)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-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]propanamide

  • Molecular FormulaC28H32N4O6
  • Average mass520.577 Da
  • Monoisotopic mass520.232178 Da
  • ChemSpider ID17467261

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-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]propanamid [German] [ACD/IUPAC Name]
(2S)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-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]propanamide [ACD/IUPAC Name]
(2S)-N-[2-(3,4-Diméthoxyphényl)éthyl]-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]propanamide [French] [ACD/IUPAC Name]
1H-Imidazo[1',5':1,2]pyrido[3,4-b]indole-2(3H)-acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,11,11b-tetrahydro-8-methoxy-α,11b-dimethyl-1,3-dioxo-, (αS,11bS)- [ACD/Index Name]
(S)-N-(3,4-dimethoxyphenethyl)-2-((S)-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)propanamide
956919-24-7 [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: 1.659
    Molar Refractivity: 140.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.46
    ACD/KOC (pH 5.5): 534.74
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.46
    ACD/KOC (pH 7.4): 534.74
    Polar Surface Area: 113 Å2
    Polarizability: 55.8±0.5 10-24cm3
    Surface Tension: 66.9±5.0 dyne/cm
    Molar Volume: 381.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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