ChemSpider 2D Image | 4-({3-Chloro-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzyl}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C24H22Cl2N4O2S

4-({3-Chloro-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzyl}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID3913390

More details:






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

3H-1,2,4-Triazole-3-thione, 4-[[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]amino]-2,4-dihydro-5-phenyl- [ACD/Index Name]
4-({3-Chlor-4-[(2-chlorbenzyl)oxy]-5-ethoxybenzyl}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-({3-Chloro-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzyl}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-({3-Chloro-4-[(2-chlorobenzyl)oxy]-5-éthoxybenzyl}amino)-5-phényl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 608.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.6±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 135.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6343.70
ACD/KOC (pH 5.5): 18322.64
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5278.58
ACD/KOC (pH 7.4): 15246.24
Polar Surface Area: 90 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 368.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement