ChemSpider 2D Image | MFCD03304757 | C32H36N2O5

MFCD03304757

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID11888247

More details:

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

1-[2-(Dimethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[2-(Dimethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(Diméthylamino)éthyl]-3-hydroxy-4-(4-isobutoxy-3-méthylbenzoyl)-5-(3-phénoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-(3-phenoxyphenyl)- [ACD/Index Name]
MFCD03304757
1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(3-phenoxyphenyl)-1H-pyrrol-2(5H)-one
1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
1-[2-(dimethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
1-[2-(dimethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-5-(3-phenoxyphenyl)-3-pyrrolin-2-one
500148-18-5 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 691.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.4±3.0 kJ/mol
    Flash Point: 371.8±31.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 151.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 6.98
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 13.03
    ACD/KOC (pH 5.5): 41.87
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 13.60
    ACD/KOC (pH 7.4): 43.70
    Polar Surface Area: 79 Å2
    Polarizability: 60.1±0.5 10-24cm3
    Surface Tension: 49.6±3.0 dyne/cm
    Molar Volume: 442.3±3.0 cm3

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