ChemSpider 2D Image | 3-Cyclohexyl-2-ethyl-11-(4-phenoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one | C32H29N5O2

3-Cyclohexyl-2-ethyl-11-(4-phenoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID3508348

More details:

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

3-Cyclohexyl-2-ethyl-11-(4-phenoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]chinoxalin-4-on [German] [ACD/IUPAC Name]
3-Cyclohexyl-2-ethyl-11-(4-phenoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one [ACD/IUPAC Name]
3-Cyclohexyl-2-éthyl-11-(4-phénoxyphényl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-cyclohexyl-2-ethyl-3,11-dihydro-11-(4-phenoxyphenyl)- [ACD/Index Name]
381185-61-1 [RN]
3-cyclohexyl-2-ethyl-11-(4-phenoxyphenyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
3-cyclohexyl-2-ethyl-11-(4-phenoxyphenyl)-3-hydroquinoxalino[2',3'-4,5]pyrrolo[2,3-d]pyrimidin-4-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 656.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.7±3.0 kJ/mol
    Flash Point: 351.0±34.3 °C
    Index of Refraction: 1.713
    Molar Refractivity: 151.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 7.60
    ACD/LogD (pH 5.5): 5.84
    ACD/BCF (pH 5.5): 16111.15
    ACD/KOC (pH 5.5): 35722.69
    ACD/LogD (pH 7.4): 5.84
    ACD/BCF (pH 7.4): 16124.58
    ACD/KOC (pH 7.4): 35752.47
    Polar Surface Area: 73 Å2
    Polarizability: 60.0±0.5 10-24cm3
    Surface Tension: 55.0±7.0 dyne/cm
    Molar Volume: 386.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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