ChemSpider 2D Image | 3-Hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-5-(4-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one | C28H25F3N2O4

3-Hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-5-(4-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H25F3N2O4
  • Average mass510.504 Da
  • Monoisotopic mass510.176636 Da
  • ChemSpider ID34799113

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-[3-methyl-4-(1-methylethoxy)benzoyl]-5-(4-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
3-Hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-5-(4-pyridinyl)-1-[3-(trifluormethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-5-(4-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-4-(4-isopropoxy-3-méthylbenzoyl)-5-(4-pyridinyl)-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: 1.3±0.1 g/cm3
Boiling Point: 662.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.6±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 56.86
ACD/KOC (pH 5.5): 303.50
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 6.17
Polar Surface Area: 80 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 382.4±3.0 cm3

Click to predict properties on the Chemicalize site


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