ChemSpider 2D Image | [3-(1H-Tetrazol-1-yl)phenyl][4-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1-piperazinyl]methanone | C23H21F3N8O2

[3-(1H-Tetrazol-1-yl)phenyl][4-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1-piperazinyl]methanone

  • Molecular FormulaC23H21F3N8O2
  • Average mass498.460 Da
  • Monoisotopic mass498.173950 Da
  • ChemSpider ID103769648

More details:

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

[3-(1H-Tetrazol-1-yl)phenyl][4-(1-{3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[3-(1H-Tetrazol-1-yl)phenyl][4-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[3-(1H-Tétrazol-1-yl)phényl][4-(1-{3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}éthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(1H-tetrazol-1-yl)phenyl][4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-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: 670.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.2±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.80
ACD/KOC (pH 5.5): 383.89
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.29
ACD/KOC (pH 7.4): 390.33
Polar Surface Area: 106 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 332.7±7.0 cm3

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