ChemSpider 2D Image | 5-(4-Fluorophenyl)-3-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-1,3,4-oxadiazol-2(3H)-one | C20H19FN8O2

5-(4-Fluorophenyl)-3-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-1,3,4-oxadiazol-2(3H)-one

  • Molecular FormulaC20H19FN8O2
  • Average mass422.416 Da
  • Monoisotopic mass422.161499 Da
  • ChemSpider ID33705756

More details:

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

1,3,4-Oxadiazol-2(3H)-one, 5-(4-fluorophenyl)-3-[[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl]- [ACD/Index Name]
5-(4-Fluorophenyl)-3-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-1,3,4-oxadiazol-2(3H)-one [ACD/IUPAC Name]
5-(4-Fluorophényl)-3-{[4-(1-phényl-1H-tétrazol-5-yl)-1-pipérazinyl]méthyl}-1,3,4-oxadiazol-2(3H)-one [French] [ACD/IUPAC Name]
5-(4-Fluorphenyl)-3-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-1,3,4-oxadiazol-2(3H)-on [German] [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: 569.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 112.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.37
ACD/KOC (pH 5.5): 109.96
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.45
ACD/KOC (pH 7.4): 132.13
Polar Surface Area: 92 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 280.4±7.0 cm3

Click to predict properties on the Chemicalize site


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