ChemSpider 2D Image | 2-(2-{4-[3-(2,6-Dimethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | C29H33N3O6

2-(2-{4-[3-(2,6-Dimethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC29H33N3O6
  • Average mass519.589 Da
  • Monoisotopic mass519.236938 Da
  • ChemSpider ID3837529

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-[4-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
2-(2-{4-[3-(2,6-Dimethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(2-{4-[3-(2,6-Diméthoxyphénoxy)-2-hydroxypropyl]-1-pipérazinyl}éthyl)-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(2-{4-[3-(2,6-Dimethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
2-(2-(4-(3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[2-[4-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
3-(2-{4-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
610756-91-7 [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: 714.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.6±3.0 kJ/mol
    Flash Point: 385.8±32.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 143.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 1.40
    ACD/KOC (pH 5.5): 17.04
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 29.97
    ACD/KOC (pH 7.4): 363.60
    Polar Surface Area: 92 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 407.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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