ChemSpider 2D Image | 4-Benzyl-3-(2-chlorophenyl)-5-{[3-(1H-pyrazol-4-yl)propyl]sulfanyl}-4H-1,2,4-triazole | C21H20ClN5S

4-Benzyl-3-(2-chlorophenyl)-5-{[3-(1H-pyrazol-4-yl)propyl]sulfanyl}-4H-1,2,4-triazole

  • Molecular FormulaC21H20ClN5S
  • Average mass409.935 Da
  • Monoisotopic mass409.112793 Da
  • ChemSpider ID32027261

More details:

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

4-Benzyl-3-(2-chlorophenyl)-5-{[3-(1H-pyrazol-4-yl)propyl]sulfanyl}-4H-1,2,4-triazole [ACD/IUPAC Name]
4-Benzyl-3-(2-chlorophényl)-5-{[3-(1H-pyrazol-4-yl)propyl]sulfanyl}-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4-Benzyl-3-(2-chlorphenyl)-5-{[3-(1H-pyrazol-4-yl)propyl]sulfanyl}-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-(phenylmethyl)-5-[[3-(1H-pyrazol-4-yl)propyl]thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.4±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1968.13
ACD/KOC (pH 5.5): 7914.79
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1984.60
ACD/KOC (pH 7.4): 7981.02
Polar Surface Area: 85 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 309.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement