ChemSpider 2D Image | 5-(4-Chlorophenyl)-2-{[(4-ethoxy-3-methoxybenzyl)(methyl)amino]methyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione | C23H29ClN4O2S

5-(4-Chlorophenyl)-2-{[(4-ethoxy-3-methoxybenzyl)(methyl)amino]methyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC23H29ClN4O2S
  • Average mass461.020 Da
  • Monoisotopic mass460.169983 Da
  • ChemSpider ID22460417

More details:

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

3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-2-[[[(4-ethoxy-3-methoxyphenyl)methyl]methylamino]methyl]-2,4-dihydro-4-propyl- [ACD/Index Name]
5-(4-Chlorophenyl)-2-{[(4-ethoxy-3-methoxybenzyl)(methyl)amino]methyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(4-Chlorophényl)-2-{[(4-éthoxy-3-méthoxybenzyl)(méthyl)amino]méthyl}-4-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-2-{[(4-ethoxy-3-methoxybenzyl)(methyl)amino]methyl}-4-propyl-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: 1.2±0.1 g/cm3
Boiling Point: 527.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.6±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 299.60
ACD/KOC (pH 5.5): 1676.22
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 612.77
ACD/KOC (pH 7.4): 3428.41
Polar Surface Area: 73 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 381.6±7.0 cm3

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