ChemSpider 2D Image | 4-{4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-1-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid | C31H25F3N2O4

4-{4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-1-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID8362897

More details:






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

1H-Pyrrole-3-carboxylic acid, 4-[[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-{4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-1-[4-(trifluormethyl)phenyl]-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
4-{4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-1-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-{4-[2-(5-méthyl-2-phényl-1,3-oxazol-4-yl)éthoxy]benzyl}-1-[4-(trifluorométhyl)phényl]-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 695.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.7±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 40498.46
ACD/KOC (pH 5.5): 50089.27
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 834.53
ACD/KOC (pH 7.4): 1032.17
Polar Surface Area: 77 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 424.5±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement