Found 1 result

Search term: IJVYHGVISAJGIM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-({4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxybenzyl}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C24H22Cl2N4O2S

4-({4-[(2,4-Dichlorobenzyl)oxy]-3-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 ID3913360

More details:

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

3H-1,2,4-Triazole-3-thione, 4-[[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]amino]-2,4-dihydro-5-phenyl- [ACD/Index Name]
4-({4-[(2,4-Dichlorbenzyl)oxy]-3-ethoxybenzyl}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-({4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxybenzyl}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-({4-[(2,4-Dichlorobenzyl)oxy]-3-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, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 608.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.0±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: 5.30
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6006.38
ACD/KOC (pH 5.5): 17620.93
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5068.65
ACD/KOC (pH 7.4): 14869.90
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