ChemSpider 2D Image | 3-(2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}-2-oxoethyl)-5-phenyl-1,3,4-oxadiazol-2(3H)-one | C20H17ClF3N5O3

3-(2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}-2-oxoethyl)-5-phenyl-1,3,4-oxadiazol-2(3H)-one

  • Molecular FormulaC20H17ClF3N5O3
  • Average mass467.829 Da
  • Monoisotopic mass467.097198 Da
  • ChemSpider ID21645350

More details:

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

1,3,4-Oxadiazol-2(3H)-one, 3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-oxoethyl]-5-phenyl- [ACD/Index Name]
3-(2-{4-[3-Chlor-5-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}-2-oxoethyl)-5-phenyl-1,3,4-oxadiazol-2(3H)-on [German] [ACD/IUPAC Name]
3-(2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}-2-oxoethyl)-5-phenyl-1,3,4-oxadiazol-2(3H)-one [ACD/IUPAC Name]
3-(2-{4-[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}-2-oxoéthyl)-5-phényl-1,3,4-oxadiazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 581.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.86
ACD/KOC (pH 5.5): 1110.05
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.72
ACD/KOC (pH 7.4): 1126.36
Polar Surface Area: 78 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 306.4±7.0 cm3

Click to predict properties on the Chemicalize site


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