ChemSpider 2D Image | Methyl 2-({4-[3-(4-chlorophenyl)-3-(4-fluorophenyl)propanoyl]-1-piperazinyl}methyl)-1,3-oxazole-4-carboxylate | C25H25ClFN3O4

Methyl 2-({4-[3-(4-chlorophenyl)-3-(4-fluorophenyl)propanoyl]-1-piperazinyl}methyl)-1,3-oxazole-4-carboxylate

  • Molecular FormulaC25H25ClFN3O4
  • Average mass485.935 Da
  • Monoisotopic mass485.151764 Da
  • ChemSpider ID26379311

More details:

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

2-({4-[3-(4-Chlorophényl)-3-(4-fluorophényl)propanoyl]-1-pipérazinyl}méthyl)-1,3-oxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Oxazolecarboxylic acid, 2-[[4-[3-(4-chlorophenyl)-3-(4-fluorophenyl)-1-oxopropyl]-1-piperazinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-({4-[3-(4-chlorophenyl)-3-(4-fluorophenyl)propanoyl]-1-piperazinyl}methyl)-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2-({4-[3-(4-chlorphenyl)-3-(4-fluorphenyl)propanoyl]-1-piperazinyl}methyl)-1,3-oxazol-4-carboxylat [German] [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: 628.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 541.74
ACD/KOC (pH 5.5): 3122.33
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 559.22
ACD/KOC (pH 7.4): 3223.07
Polar Surface Area: 76 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 369.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement