ChemSpider 2D Image | {4-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}[4-(4-fluorophenyl)-1-piperazinyl]methanone | C25H20F2N4O2

{4-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}[4-(4-fluorophenyl)-1-piperazinyl]methanone

  • Molecular FormulaC25H20F2N4O2
  • Average mass446.449 Da
  • Monoisotopic mass446.155426 Da
  • ChemSpider ID28382997

More details:

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

{4-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}[4-(4-fluorophenyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
{4-[3-(3-Fluorophényl)-1,2,4-oxadiazol-5-yl]phényl}[4-(4-fluorophényl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
{4-[3-(3-Fluorphenyl)-1,2,4-oxadiazol-5-yl]phenyl}[4-(4-fluorphenyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl][4-(4-fluorophenyl)-1-piperazinyl]- [ACD/Index Name]
2-({4-ethyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}thio)-N-methyl-N-(3-methylphenyl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 648.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.0±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 854.68
ACD/KOC (pH 5.5): 4365.41
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 855.80
ACD/KOC (pH 7.4): 4371.09
Polar Surface Area: 62 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 338.0±3.0 cm3

Click to predict properties on the Chemicalize site


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