ChemSpider 2D Image | 2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-5-(2-hexanyl)-1,3,4-oxadiazole | C24H23Cl3N4O

2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-5-(2-hexanyl)-1,3,4-oxadiazole

  • Molecular FormulaC24H23Cl3N4O
  • Average mass489.825 Da
  • Monoisotopic mass488.093750 Da
  • ChemSpider ID24702912

More details:

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

1,3,4-Oxadiazole, 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-5-(1-methylpentyl)- [ACD/Index Name]
2-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-5-(2-hexanyl)-1,3,4-oxadiazole [ACD/IUPAC Name]
2-[5-(4-Chlorophényl)-1-(2,4-dichlorophényl)-4-méthyl-1H-pyrazol-3-yl]-5-(2-hexanyl)-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-[5-(4-Chlorphenyl)-1-(2,4-dichlorphenyl)-4-methyl-1H-pyrazol-3-yl]-5-(2-hexanyl)-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486957/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 325.7±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 207596.59
ACD/KOC (pH 5.5): 222659.86
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 207596.59
ACD/KOC (pH 7.4): 222659.86
Polar Surface Area: 57 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 361.3±7.0 cm3

Click to predict properties on the Chemicalize site


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