ChemSpider 2D Image | 5-(3-Chloro-4,5-dimethoxyphenyl)-1-[3-(dimethylamino)phenyl]-4-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C29H31ClN2O6

5-(3-Chloro-4,5-dimethoxyphenyl)-1-[3-(dimethylamino)phenyl]-4-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H31ClN2O6
  • Average mass539.019 Da
  • Monoisotopic mass538.187073 Da
  • ChemSpider ID60298819

More details:

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

2H-Pyrrol-2-one, 5-(3-chloro-4,5-dimethoxyphenyl)-1-[3-(dimethylamino)phenyl]-4-(4-ethoxy-3-methoxyphenyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
5-(3-Chlor-4,5-dimethoxyphenyl)-1-[3-(dimethylamino)phenyl]-4-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(3-Chloro-4,5-dimethoxyphenyl)-1-[3-(dimethylamino)phenyl]-4-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(3-Chloro-4,5-diméthoxyphényl)-1-[3-(diméthylamino)phényl]-4-(4-éthoxy-3-méthoxyphényl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2602.94
ACD/KOC (pH 5.5): 9216.79
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3040.83
ACD/KOC (pH 7.4): 10767.30
Polar Surface Area: 81 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 417.6±3.0 cm3

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