ChemSpider 2D Image | 4-{[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine | C17H19ClFN7O

4-{[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine

  • Molecular FormulaC17H19ClFN7O
  • Average mass391.831 Da
  • Monoisotopic mass391.132355 Da
  • ChemSpider ID63563146

More details:

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

4-{[1-(3-Chlor-4-fluorphenyl)-1H-1,2,3-triazol-4-yl]methyl}-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin [German] [ACD/IUPAC Name]
4-{[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine [ACD/IUPAC Name]
4-{[1-(3-Chloro-4-fluorophényl)-1H-1,2,3-triazol-4-yl]méthyl}-1-méthyl-2-(3-méthyl-1,2,4-oxadiazol-5-yl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 4-[[1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl]-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)- [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: 558.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.6±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 100.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.06
ACD/KOC (pH 5.5): 124.91
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.31
ACD/KOC (pH 7.4): 130.10
Polar Surface Area: 76 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 260.3±7.0 cm3

Click to predict properties on the Chemicalize site


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