ChemSpider 2D Image | 2-[(11aS)-5-(4-Isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(tetrahydro-2-furanylmethyl)benzamide | C34H34N4O4

2-[(11aS)-5-(4-Isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(tetrahydro-2-furanylmethyl)benzamide

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID17468256

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2-[(11aS)-5-(4-Isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(tetrahydro-2-furanylmethyl)benzamid [German] [ACD/IUPAC Name]
2-[(11aS)-5-(4-Isopropylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(tetrahydro-2-furanylmethyl)benzamide [ACD/IUPAC Name]
2-[(11aS)-5-(4-Isopropylphényl)-1,3-dioxo-5,6,11,11a-tétrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]-N-(tétrahydro-2-furanylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[(tetrahydro-2-furanyl)methyl]-2-[(11aS)-5,6,11,11a-tetrahydro-5-[4-(1-methylethyl)phenyl]-1,3-dioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]- [ACD/Index Name]
2-((11aS)-5-(4-isopropylphenyl)-1,3-dioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)benzamide
956966-08-8 [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: 1.706
    Molar Refractivity: 159.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 4.49
    ACD/BCF (pH 5.5): 1508.47
    ACD/KOC (pH 5.5): 6558.35
    ACD/LogD (pH 7.4): 4.49
    ACD/BCF (pH 7.4): 1508.47
    ACD/KOC (pH 7.4): 6558.34
    Polar Surface Area: 95 Å2
    Polarizability: 63.3±0.5 10-24cm3
    Surface Tension: 71.4±5.0 dyne/cm
    Molar Volume: 410.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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