ChemSpider 2D Image | 2-[1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl]-5-(3-pentanyl)-1,3,4-thiadiazole | C23H21Cl3N4S

2-[1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl]-5-(3-pentanyl)-1,3,4-thiadiazole

  • Molecular FormulaC23H21Cl3N4S
  • Average mass491.864 Da
  • Monoisotopic mass490.055237 Da
  • ChemSpider ID24692881

More details:

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

1,3,4-Thiadiazole, 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl]-5-(1-ethylpropyl)- [ACD/Index Name]
2-[1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl]-5-(3-pentanyl)-1,3,4-thiadiazole [ACD/IUPAC Name]
2-[1-(4-Chlorophényl)-2-(2,4-dichlorophényl)-5-méthyl-1H-imidazol-4-yl]-5-(3-pentanyl)-1,3,4-thiadiazole [French] [ACD/IUPAC Name]
2-[1-(4-Chlorphenyl)-2-(2,4-dichlorphenyl)-5-methyl-1H-imidazol-4-yl]-5-(3-pentanyl)-1,3,4-thiadiazol [German] [ACD/IUPAC Name]
CHEMBL465936
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465936/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 351578.97
ACD/KOC (pH 5.5): 324650.78
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 351578.97
ACD/KOC (pH 7.4): 324650.78
Polar Surface Area: 72 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 353.3±7.0 cm3

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