ChemSpider 2D Image | 11-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(3-ethoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one | C28H31N5O4

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

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID2982762

More details:

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

11-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(3-ethoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]chinoxalin-4-on [German] [ACD/IUPAC Name]
11-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(3-ethoxypropyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one [ACD/IUPAC Name]
11-[2-(3,4-Diméthoxyphényl)éthyl]-3-(3-éthoxypropyl)-2-méthyl-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, 11-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-ethoxypropyl)-3,11-dihydro-2-methyl- [ACD/Index Name]
11-(3,4-dimethoxyphenethyl)-3-(3-ethoxypropyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
11-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-ethoxypropyl)-2-methyl-3-hydroquinoxalino[2',3'-4,5]pyrrolo[2,3-d]pyrimidin-4-one
844653-18-5 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 711.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.1±3.0 kJ/mol
    Flash Point: 384.2±35.7 °C
    Index of Refraction: 1.640
    Molar Refractivity: 140.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.48
    ACD/LogD (pH 5.5): 4.13
    ACD/BCF (pH 5.5): 808.17
    ACD/KOC (pH 5.5): 4192.77
    ACD/LogD (pH 7.4): 4.13
    ACD/BCF (pH 7.4): 810.05
    ACD/KOC (pH 7.4): 4202.52
    Polar Surface Area: 91 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 47.6±7.0 dyne/cm
    Molar Volume: 389.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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