ChemSpider 2D Image | 2-(5-Phenyl-2H-tetrazol-2-yl)-1-[4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]ethanone | C23H21F3N8O2

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

  • Molecular FormulaC23H21F3N8O2
  • Average mass498.460 Da
  • Monoisotopic mass498.173950 Da
  • ChemSpider ID70796987

More details:

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

2-(5-Phenyl-2H-tetrazol-2-yl)-1-[4-({3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-(5-Phenyl-2H-tetrazol-2-yl)-1-[4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-(5-Phényl-2H-tétrazol-2-yl)-1-[4-({3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(5-phenyl-2H-tetrazol-2-yl)-1-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]- [ACD/Index 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: 684.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.6±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.25
ACD/KOC (pH 5.5): 1191.25
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.39
ACD/KOC (pH 7.4): 1192.47
Polar Surface Area: 106 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site


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