ChemSpider 2D Image | 5-(4-tert-Butylphenyl)-1-[3-(diethylamino)propyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one | C31H38N2O5

5-(4-tert-Butylphenyl)-1-[3-(diethylamino)propyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H38N2O5
  • Average mass518.644 Da
  • Monoisotopic mass518.278076 Da
  • ChemSpider ID3247078

More details:

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

1-[3-(Diethylamino)propyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[3-(Diethylamino)propyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-[4-(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[3-(Diéthylamino)propyl]-3-hydroxy-4-[(7-méthoxy-1-benzofuran-2-yl)carbonyl]-5-[4-(2-méthyl-2-propanyl)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[3-(diethylamino)propyl]-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-4-[(7-methoxy-2-benzofuranyl)carbonyl]- [ACD/Index Name]
5-(4-tert-Butylphenyl)-1-[3-(diethylamino)propyl]-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
1-[3-(diethylamino)propyl]-5-[4-(tert-butyl)phenyl]-3-hydroxy-4-[(7-methoxybenzo[d]furan-2-yl)carbonyl]-3-pyrrolin-2-one
2-(4-tert-butylphenyl)-1-[3-(diethylazaniumyl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate
5-(4-(tert-butyl)phenyl)-1-(3-(diethylamino)propyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-1H-pyrrol-2(5H)-one
5-(4-tert-Butyl-phenyl)-1-(3-diethylamino-propyl)-3-hydroxy-4-(7-methoxy-benzofuran-2-carbonyl)-1,5-dihydro-pyrrol-2-one
620930-12-3 [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: 668.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 103.2±3.0 kJ/mol
    Flash Point: 358.2±31.5 °C
    Index of Refraction: 1.594
    Molar Refractivity: 148.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.73
    ACD/LogD (pH 5.5): 1.92
    ACD/BCF (pH 5.5): 4.16
    ACD/KOC (pH 5.5): 18.43
    ACD/LogD (pH 7.4): 1.95
    ACD/BCF (pH 7.4): 4.45
    ACD/KOC (pH 7.4): 19.74
    Polar Surface Area: 83 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 49.0±3.0 dyne/cm
    Molar Volume: 438.7±3.0 cm3

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