ChemSpider 2D Image | 2-{[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(methylsulfonyl)phenyl]acetamide | C24H20N4O5S2

2-{[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(methylsulfonyl)phenyl]acetamide

  • Molecular FormulaC24H20N4O5S2
  • Average mass508.569 Da
  • Monoisotopic mass508.087524 Da
  • ChemSpider ID11088287

More details:

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

2-{[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(methylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(methylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
2-{[5-(1,3-Benzodioxol-5-yl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(méthylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.63
ACD/KOC (pH 5.5): 1446.88
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.62
ACD/KOC (pH 7.4): 1446.83
Polar Surface Area: 146 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 345.0±7.0 cm3

Click to predict properties on the Chemicalize site


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