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

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

  • Molecular FormulaC23H21F3N8O2
  • Average mass498.460 Da
  • Monoisotopic mass498.173950 Da
  • ChemSpider ID114885153

More details:

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

[3-Methyl-4-(1H-tetrazol-1-yl)phenyl][4-({3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[3-Methyl-4-(1H-tetrazol-1-yl)phenyl][4-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[3-Méthyl-4-(1H-tétrazol-1-yl)phényl][4-({3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-methyl-4-(1H-tetrazol-1-yl)phenyl][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: 679.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±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: 3.28
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.18
ACD/KOC (pH 5.5): 497.36
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.41
ACD/KOC (pH 7.4): 500.20
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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