ChemSpider 2D Image | 1-[4-(2-Chloro-4-fluorobenzoyl)-1-piperazinyl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-butanone | C23H21Cl2FN4O3

1-[4-(2-Chloro-4-fluorobenzoyl)-1-piperazinyl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-butanone

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID34356247

More details:

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

1-[4-(2-Chlor-4-fluorbenzoyl)-1-piperazinyl]-4-[3-(4-chlorphenyl)-1,2,4-oxadiazol-5-yl]-1-butanon [German] [ACD/IUPAC Name]
1-[4-(2-Chloro-4-fluorobenzoyl)-1-piperazinyl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-butanone [ACD/IUPAC Name]
1-[4-(2-Chloro-4-fluorobenzoyl)-1-pipérazinyl]-4-[3-(4-chlorophényl)-1,2,4-oxadiazol-5-yl]-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[4-(2-chloro-4-fluorobenzoyl)-1-piperazinyl]-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]- [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: 699.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 322.90
ACD/KOC (pH 5.5): 2175.66
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 322.90
ACD/KOC (pH 7.4): 2175.67
Polar Surface Area: 80 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 353.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement