ChemSpider 2D Image | 2-{[4-Benzyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)propanamide | C23H20Cl2N4O2S

2-{[4-Benzyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)propanamide

  • Molecular FormulaC23H20Cl2N4O2S
  • Average mass487.401 Da
  • Monoisotopic mass486.068390 Da
  • ChemSpider ID21728424

More details:

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

2-{[4-Benzyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)propanamide [ACD/IUPAC Name]
2-{[4-Benzyl-5-(2-méthyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophényl)propanamide [French] [ACD/IUPAC Name]
2-{[4-Benzyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorphenyl)propanamid [German] [ACD/IUPAC Name]
Propanamide, N-(2,5-dichlorophenyl)-2-[[5-(2-methyl-3-furanyl)-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15113.50
ACD/KOC (pH 5.5): 34133.00
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15112.82
ACD/KOC (pH 7.4): 34131.47
Polar Surface Area: 98 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 348.6±7.0 cm3

Click to predict properties on the Chemicalize site


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