ChemSpider 2D Image | 5-[4-(Dimethylamino)phenyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-1-(4-isopropoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C34H40N2O5

5-[4-(Dimethylamino)phenyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-1-(4-isopropoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID34813586

More details:

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

2H-Pyrrol-2-one, 5-[4-(dimethylamino)phenyl]-4-[3-(1,1-dimethylethyl)-4-ethoxybenzoyl]-1,5-dihydro-3-hydroxy-1-[4-(1-methylethoxy)phenyl]- [ACD/Index Name]
5-[4-(Dimethylamino)phenyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-1-(4-isopropoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-[4-(Dimethylamino)phenyl]-4-[4-ethoxy-3-(2-methyl-2-propanyl)benzoyl]-3-hydroxy-1-(4-isopropoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-[4-(Diméthylamino)phényl]-4-[4-éthoxy-3-(2-méthyl-2-propanyl)benzoyl]-3-hydroxy-1-(4-isopropoxyphényl)-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: 1.2±0.1 g/cm3
Boiling Point: 696.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.2±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 161.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 2401.58
ACD/KOC (pH 5.5): 5565.40
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 48.35
ACD/KOC (pH 7.4): 112.03
Polar Surface Area: 79 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 470.5±3.0 cm3

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