ChemSpider 2D Image | 3-[2-(4-Cyclohexyl-1-piperazinyl)-2-oxoethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | C24H31N5O4

3-[2-(4-Cyclohexyl-1-piperazinyl)-2-oxoethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

  • Molecular FormulaC24H31N5O4
  • Average mass453.534 Da
  • Monoisotopic mass453.237610 Da
  • ChemSpider ID22531681

More details:

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

3-[2-(4-Cyclohexyl-1-piperazinyl)-2-oxoethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-on [German] [ACD/IUPAC Name]
3-[2-(4-Cyclohexyl-1-piperazinyl)-2-oxoethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [ACD/IUPAC Name]
3-[2-(4-Cyclohexyl-1-pipérazinyl)-2-oxoéthyl]-7,8-diméthoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[5,4-b]indol-4-one, 3-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-3,5-dihydro-7,8-dimethoxy- [ACD/Index Name]
1105226-44-5 [RN]
2-[2-(4-Cyclohexyl-piperazin-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-2,9-dihydro-2,4,9-triaza-fluoren-1-one
3-(2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 690.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.2±3.0 kJ/mol
    Flash Point: 371.2±34.3 °C
    Index of Refraction: 1.681
    Molar Refractivity: 122.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.44
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 9.46
    ACD/KOC (pH 7.4): 165.50
    Polar Surface Area: 90 Å2
    Polarizability: 48.6±0.5 10-24cm3
    Surface Tension: 55.6±7.0 dyne/cm
    Molar Volume: 323.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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