ChemSpider 2D Image | N-(2-Chloro-6-fluorobenzyl)-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]benzamide | C29H24ClFN4O4

N-(2-Chloro-6-fluorobenzyl)-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]benzamide

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID22871814

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(2-chloro-6-fluorophenyl)methyl]-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]
N-(2-Chlor-6-fluorbenzyl)-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]benzamid [German] [ACD/IUPAC Name]
N-(2-Chloro-6-fluorobenzyl)-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]benzamide [ACD/IUPAC Name]
N-(2-Chloro-6-fluorobenzyl)-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]benzamide [French] [ACD/IUPAC Name]
(S)-N-(2-chloro-6-fluorobenzyl)-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)benzamide
956210-73-4 [RN]
MolPort-002-523-471
STOCK1N-48743

    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: 1.724
    Molar Refractivity: 143.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 399.24
    ACD/KOC (pH 5.5): 2532.59
    ACD/LogD (pH 7.4): 3.72
    ACD/BCF (pH 7.4): 399.23
    ACD/KOC (pH 7.4): 2532.58
    Polar Surface Area: 95 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 76.6±5.0 dyne/cm
    Molar Volume: 362.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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