ChemSpider 2D Image | 4-(4-Bromophenyl)-2-(2,6-difluorobenzyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C24H20BrF2N3O3S

4-(4-Bromophenyl)-2-(2,6-difluorobenzyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC24H20BrF2N3O3S
  • Average mass548.400 Da
  • Monoisotopic mass547.037659 Da
  • ChemSpider ID30657330

More details:

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

3H-1,2,4-Triazole-3-thione, 4-(4-bromophenyl)-2-[(2,6-difluorophenyl)methyl]-2,4-dihydro-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-(4-Bromophenyl)-2-(2,6-difluorobenzyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-(4-Bromophényl)-2-(2,6-difluorobenzyl)-5-(3,4,5-triméthoxyphényl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-(4-Bromphenyl)-2-(2,6-difluorbenzyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 596.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1682.77
ACD/KOC (pH 5.5): 7092.29
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1682.77
ACD/KOC (pH 7.4): 7092.30
Polar Surface Area: 79 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

Click to predict properties on the Chemicalize site


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