ChemSpider 2D Image | 5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one | C31H32N2O7

5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H32N2O7
  • Average mass544.595 Da
  • Monoisotopic mass544.220947 Da
  • ChemSpider ID12221143

More details:

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

2H-Pyrrol-2-one, 5-(4-butoxy-3-ethoxyphenyl)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]-1,5-dihydro-3-hydroxy-1-(3-pyridinylmethyl)- [ACD/Index Name]
5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-Butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Butoxy-3-éthoxyphényl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(3-pyridinylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylcarbonyl)-5-(4-butoxy-3-ethoxyphenyl)-3-hydroxy-1-(3-pyridylmethyl)-3-pyrrolin-2-one
5-(4-butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
5-(4-butoxy-3-ethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
5-(4-butoxy-3-ethoxyphenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
620565-26-6 [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: 752.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 115.0±3.0 kJ/mol
    Flash Point: 408.6±32.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 147.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.13
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 17.65
    ACD/KOC (pH 5.5): 130.83
    ACD/LogD (pH 7.4): 0.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.70
    Polar Surface Area: 107 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 58.1±3.0 dyne/cm
    Molar Volume: 418.2±3.0 cm3

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