ChemSpider 2D Image | 3-{3-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(2-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole | C24H18F2N6O

3-{3-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(2-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

  • Molecular FormulaC24H18F2N6O
  • Average mass444.436 Da
  • Monoisotopic mass444.151001 Da
  • ChemSpider ID128696097

More details:

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

3-{3-[4-Fluor-3-(1H-imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(2-fluorphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol [German] [ACD/IUPAC Name]
3-{3-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(2-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole [ACD/IUPAC Name]
3-{3-[4-Fluoro-3-(1H-imidazol-1-ylméthyl)phényl]-1,2,4-oxadiazol-5-yl}-1-(2-fluorophényl)-1,4,5,6-tétrahydrocyclopenta[c]pyrazole [French] [ACD/IUPAC Name]
Cyclopenta[c]pyrazole, 3-[3-[4-fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(2-fluorophenyl)-1,4,5,6-tetrahydro- [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: 666.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 356.7±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 174.96
ACD/KOC (pH 5.5): 763.38
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1358.04
ACD/KOC (pH 7.4): 5925.49
Polar Surface Area: 75 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 300.2±7.0 cm3

Click to predict properties on the Chemicalize site


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