ChemSpider 2D Image | 2-[2-(Dimethylamino)ethyl]-1-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C31H32N2O5

2-[2-(Dimethylamino)ethyl]-1-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID3448273

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 2-[2-(dimethylamino)ethyl]-1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2-dihydro- [ACD/Index Name]
2-[2-(Dimethylamino)ethyl]-1-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
2-[2-(Dimethylamino)ethyl]-1-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
2-[2-(Diméthylamino)éthyl]-1-{3-éthoxy-4-[(4-méthylbenzyl)oxy]phényl}-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
2-[2-(dimethylamino)ethyl]-1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
2-[2-(dimethylamino)ethyl]-1-{3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
847163-65-9 [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: 677.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.4±3.0 kJ/mol
    Flash Point: 363.4±31.5 °C
    Index of Refraction: 1.646
    Molar Refractivity: 144.9±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.04
    ACD/LogD (pH 5.5): 1.69
    ACD/BCF (pH 5.5): 2.21
    ACD/KOC (pH 5.5): 8.95
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 53.13
    ACD/KOC (pH 7.4): 214.85
    Polar Surface Area: 68 Å2
    Polarizability: 57.4±0.5 10-24cm3
    Surface Tension: 59.3±5.0 dyne/cm
    Molar Volume: 399.3±5.0 cm3

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