ChemSpider 2D Image | 3-Hydroxy-5-phenyl-4-(2-thienylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one | C23H16F3NO3S

3-Hydroxy-5-phenyl-4-(2-thienylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC23H16F3NO3S
  • Average mass443.438 Da
  • Monoisotopic mass443.080292 Da
  • ChemSpider ID34800643

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-phenyl-4-(2-thienylcarbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
3-Hydroxy-5-phenyl-4-(2-thienylcarbonyl)-1-[3-(trifluormethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-5-phenyl-4-(2-thienylcarbonyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-5-phényl-4-(2-thiénylcarbonyl)-1-[3-(trifluorométhyl)benzyl]-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: 1.5±0.1 g/cm3
Boiling Point: 596.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.7±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 71.84
ACD/KOC (pH 5.5): 375.66
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 6.48
Polar Surface Area: 86 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 305.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement