ChemSpider 2D Image | 4-({[4-(4-Chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-phenylbenzamide | C27H20ClN5OS

4-({[4-(4-Chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-phenylbenzamide

  • Molecular FormulaC27H20ClN5OS
  • Average mass497.999 Da
  • Monoisotopic mass497.107697 Da
  • ChemSpider ID35136304

More details:

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

4-({[4-(4-Chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-phenylbenzamide [ACD/IUPAC Name]
4-({[4-(4-Chlorophényl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-N-phénylbenzamide [French] [ACD/IUPAC Name]
4-({[4-(4-Chlorphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-phenylbenzamid [German] [ACD/IUPAC Name]
Benzamide, 4-[[[4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8821.80
ACD/KOC (pH 5.5): 23217.10
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8822.63
ACD/KOC (pH 7.4): 23219.29
Polar Surface Area: 98 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 374.9±7.0 cm3

Click to predict properties on the Chemicalize site


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