ChemSpider 2D Image | 16-(4-Ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquinolino[2,1-a]quinolin-1-one | C30H33NO4

16-(4-Ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquinolino[2,1-a]quinolin-1-one

  • Molecular FormulaC30H33NO4
  • Average mass471.587 Da
  • Monoisotopic mass471.240967 Da
  • ChemSpider ID21527750

More details:

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

16-(4-Ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isochinolino[2,1-a]chinolin-1-on [German] [ACD/IUPAC Name]
16-(4-Éthoxyphényl)-3,3-diméthyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxépino[2',3':6,7]isoquinoléino[2,1-a]quinoléin-1-one [French] [ACD/IUPAC Name]
16-(4-Ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquinolino[2,1-a]quinolin-1-one [ACD/IUPAC Name]
1H,10H-[1,5]Benzodioxepino[7,8-a]benzo[f]quinolizin-1-one, 16-(4-ethoxyphenyl)-2,3,4,6,7,11,12,16-octahydro-3,3-dimethyl- [ACD/Index Name]
16-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
16-(4-ethoxyphenyl)-3,3-dimethyl-3,4,6,7,10,11,12,16-octahydro-[1,4]dioxepino[2',3':6,7]isoquinolino[2,1-a]quinolin-1(2H)-one
898919-68-1 [RN]
AGN-PC-01KCSL
AKOS005520065
MCULE-9656823196
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 656.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.6±3.0 kJ/mol
    Flash Point: 350.5±31.5 °C
    Index of Refraction: 1.641
    Molar Refractivity: 135.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.69
    ACD/LogD (pH 5.5): 5.72
    ACD/BCF (pH 5.5): 13097.23
    ACD/KOC (pH 5.5): 30754.51
    ACD/LogD (pH 7.4): 5.72
    ACD/BCF (pH 7.4): 13176.73
    ACD/KOC (pH 7.4): 30941.20
    Polar Surface Area: 48 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 56.1±5.0 dyne/cm
    Molar Volume: 374.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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