ChemSpider 2D Image | 4-[5-(4-Fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole | C28H23FN6S

4-[5-(4-Fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole

  • Molecular FormulaC28H23FN6S
  • Average mass494.586 Da
  • Monoisotopic mass494.168884 Da
  • ChemSpider ID28501837

More details:

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

4-[5-(4-Fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
4-[5-(4-Fluorophényl)-1-(4-phényl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-méthyl-1-(4-méthylphényl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
4-[5-(4-Fluorphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
Thiazole, 2-[5-(4-fluorophenyl)-4,5-dihydro-3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1H-pyrazol-1-yl]-4-phenyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3867.90
ACD/KOC (pH 5.5): 12795.41
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3944.58
ACD/KOC (pH 7.4): 13049.07
Polar Surface Area: 87 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 367.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement