ChemSpider 2D Image | N-({[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-chlorobenzamide | C24H17ClN4O4S

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

  • Molecular FormulaC24H17ClN4O4S
  • Average mass492.934 Da
  • Monoisotopic mass492.065918 Da
  • ChemSpider ID21773989

More details:






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

Benzamide, N-[2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]-2-chloro- [ACD/Index Name]
N-({[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-chlorbenzamid [German] [ACD/IUPAC Name]
N-({[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-2-chlorobenzamide [ACD/IUPAC Name]
N-(2-{[5-(1,3-Benzodioxol-5-yl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)-2-chlorobenzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1154.64
ACD/KOC (pH 5.5): 5415.52
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1113.53
ACD/KOC (pH 7.4): 5222.69
Polar Surface Area: 121 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 332.2±7.0 cm3

Click to predict properties on the Chemicalize site






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