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}-D-leucine | C33H32N4O5

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}-D-leucine

  • Molecular FormulaC33H32N4O5
  • Average mass564.631 Da
  • Monoisotopic mass564.237244 Da
  • ChemSpider ID17471349

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

D-Leucine, 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}-D-leucin [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}-D-leucine [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}-D-leucine [French] [ACD/IUPAC Name]
(2R)-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)-4-methylpentanoic acid
956947-06-1 [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: 1.712
    Molar Refractivity: 157.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 8.50
    ACD/KOC (pH 5.5): 44.94
    ACD/LogD (pH 7.4): 0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.27
    Polar Surface Area: 123 Å2
    Polarizability: 62.3±0.5 10-24cm3
    Surface Tension: 75.9±5.0 dyne/cm
    Molar Volume: 401.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement