ChemSpider 2D Image | 4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole | C24H20ClF2N3O3S

4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole

  • Molecular FormulaC24H20ClF2N3O3S
  • Average mass503.949 Da
  • Monoisotopic mass503.088196 Da
  • ChemSpider ID30657228

More details:

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

4-(3-Chlorophenyl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
4-(3-Chlorophényl)-3-[(2,6-difluorobenzyl)sulfanyl]-5-(3,4,5-triméthoxyphényl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4-(3-Chlorphenyl)-3-[(2,6-difluorbenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 4-(3-chlorophenyl)-3-[[(2,6-difluorophenyl)methyl]thio]-5-(3,4,5-trimethoxyphenyl)- [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: 645.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24837.33
ACD/KOC (pH 5.5): 48708.09
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24837.44
ACD/KOC (pH 7.4): 48708.30
Polar Surface Area: 84 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 371.2±7.0 cm3

Click to predict properties on the Chemicalize site


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