ChemSpider 2D Image | N-{2-[(11aS)-5-(4-Methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoyl}glycine | C29H24N4O5

N-{2-[(11aS)-5-(4-Methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoyl}glycine

  • Molecular FormulaC29H24N4O5
  • Average mass508.525 Da
  • Monoisotopic mass508.174683 Da
  • ChemSpider ID17469562

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Glycine, N-[2-[(11aS)-5,6,11,11a-tetrahydro-5-(4-methylphenyl)-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoyl]- [ACD/Index Name]
N-{2-[(11aS)-5-(4-Methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoyl}glycin [German] [ACD/IUPAC Name]
N-{2-[(11aS)-5-(4-Methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoyl}glycine [ACD/IUPAC Name]
N-{2-[(11aS)-5-(4-Méthylphényl)-1,3-dioxo-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoyl}glycine [French] [ACD/IUPAC Name]
2-(2-((11aS)-1,3-dioxo-5-(p-tolyl)-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzamido)acetic acid
956936-74-6 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.763
    Molar Refractivity: 138.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.47
    ACD/LogD (pH 7.4): -0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 123 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 87.9±5.0 dyne/cm
    Molar Volume: 335.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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