ChemSpider 2D Image | 4-(2-Chlorobenzoyl)-1-[4-(diethylamino)butyl]-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C32H38ClN3O6

4-(2-Chlorobenzoyl)-1-[4-(diethylamino)butyl]-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H38ClN3O6
  • Average mass596.114 Da
  • Monoisotopic mass595.244934 Da
  • ChemSpider ID117952249

More details:

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

2H-Pyrrol-2-one, 4-(2-chlorobenzoyl)-1-[4-(diethylamino)butyl]-5-[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxyphenyl]-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-(2-Chlorbenzoyl)-1-[4-(diethylamino)butyl]-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(2-Chlorobenzoyl)-1-[4-(diethylamino)butyl]-5-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(2-Chlorobenzoyl)-1-[4-(diéthylamino)butyl]-5-{4-[(3,5-diméthyl-1,2-oxazol-4-yl)méthoxy]-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: 755.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 161.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 12.04
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 12.90
Polar Surface Area: 105 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 476.8±3.0 cm3

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