ChemSpider 2D Image | 4-(2,4-Diethoxybenzoyl)-3-hydroxy-5-(3-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one | C28H25F3N2O5

4-(2,4-Diethoxybenzoyl)-3-hydroxy-5-(3-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H25F3N2O5
  • Average mass526.504 Da
  • Monoisotopic mass526.171570 Da
  • ChemSpider ID34798813

More details:

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

2H-Pyrrol-2-one, 4-(2,4-diethoxybenzoyl)-1,5-dihydro-3-hydroxy-5-(3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-(2,4-Diethoxybenzoyl)-3-hydroxy-5-(3-pyridinyl)-1-[3-(trifluormethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(2,4-Diethoxybenzoyl)-3-hydroxy-5-(3-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(2,4-Diéthoxybenzoyl)-3-hydroxy-5-(3-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: 1.4±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 38.60
ACD/KOC (pH 5.5): 236.12
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.37
Polar Surface Area: 89 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 389.8±3.0 cm3

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