ChemSpider 2D Image | 4-Cyclohexyl-3-[(3,4-dichlorobenzyl)sulfanyl]-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole | C23H25Cl2N3O2S

4-Cyclohexyl-3-[(3,4-dichlorobenzyl)sulfanyl]-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole

  • Molecular FormulaC23H25Cl2N3O2S
  • Average mass478.435 Da
  • Monoisotopic mass477.104462 Da
  • ChemSpider ID21575662

More details:

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

4-Cyclohexyl-3-[(3,4-dichlorbenzyl)sulfanyl]-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4-Cyclohexyl-3-[(3,4-dichlorobenzyl)sulfanyl]-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Cyclohexyl-3-[(3,4-dichlorobenzyl)sulfanyl]-5-(3,5-diméthoxyphényl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 4-cyclohexyl-3-[[(3,4-dichlorophenyl)methyl]thio]-5-(3,5-dimethoxyphenyl)- [ACD/Index 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: 657.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70794.33
ACD/KOC (pH 5.5): 103087.95
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70795.34
ACD/KOC (pH 7.4): 103089.42
Polar Surface Area: 74 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 353.1±7.0 cm3

Click to predict properties on the Chemicalize site


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