ChemSpider 2D Image | 2-{[2-(2-Fluorophenoxy)ethyl]sulfanyl}-5-{1-methyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1,3,4-oxadiazole | C21H16F4N4O2S

2-{[2-(2-Fluorophenoxy)ethyl]sulfanyl}-5-{1-methyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1,3,4-oxadiazole

  • Molecular FormulaC21H16F4N4O2S
  • Average mass464.436 Da
  • Monoisotopic mass464.093018 Da
  • ChemSpider ID28521385

More details:

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

1,3,4-Oxadiazole, 2-[[2-(2-fluorophenoxy)ethyl]thio]-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]- [ACD/Index Name]
2-{[2-(2-Fluorophenoxy)ethyl]sulfanyl}-5-{1-methyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1,3,4-oxadiazole [ACD/IUPAC Name]
2-{[2-(2-Fluorophénoxy)éthyl]sulfanyl}-5-{1-méthyl-5-[4-(trifluorométhyl)phényl]-1H-pyrazol-3-yl}-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-{[2-(2-Fluorphenoxy)ethyl]sulfanyl}-5-{1-methyl-5-[4-(trifluormethyl)phenyl]-1H-pyrazol-3-yl}-1,3,4-oxadiazol [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 594.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6967.89
ACD/KOC (pH 5.5): 19610.26
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6967.89
ACD/KOC (pH 7.4): 19610.26
Polar Surface Area: 91 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 324.8±7.0 cm3

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