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

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

  • Molecular FormulaC24H20N4O5S2
  • Average mass508.569 Da
  • Monoisotopic mass508.087524 Da
  • ChemSpider ID11088343

More details:

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

Methanesulfonamide, N-[4-[2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]phenyl]- [ACD/Index Name]
N-[4-({[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]methanesulfonamide [ACD/IUPAC Name]
N-[4-({[5-(1,3-Benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]methansulfonamid [German] [ACD/IUPAC Name]
N-[4-(2-{[5-(1,3-Benzodioxol-5-yl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)phényl]méthanesulfonamide [French] [ACD/IUPAC 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: 753.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.5±35.7 °C
Index of Refraction: 1.708
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.32
ACD/KOC (pH 5.5): 1616.96
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 59.28
ACD/KOC (pH 7.4): 443.10
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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