ChemSpider 2D Image | 3-(2-Chloro-6-fluorophenyl)-N-{2-[4-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl}-5-methyl-1,2-oxazole-4-carboxamide | C23H21Cl2FN4O3

3-(2-Chloro-6-fluorophenyl)-N-{2-[4-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl}-5-methyl-1,2-oxazole-4-carboxamide

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID70716628

More details:

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

3-(2-Chlor-6-fluorphenyl)-N-{2-[4-(4-chlorphenyl)-1-piperazinyl]-2-oxoethyl}-5-methyl-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophenyl)-N-{2-[4-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl}-5-methyl-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophényl)-N-{2-[4-(4-chlorophényl)-1-pipérazinyl]-2-oxoéthyl}-5-méthyl-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-N-[2-[4-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-5-methyl- [ACD/Index 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: 677.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.5±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.18
ACD/KOC (pH 5.5): 1707.05
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.41
ACD/KOC (pH 7.4): 1708.75
Polar Surface Area: 79 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 354.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement