ChemSpider 2D Image | 3-{[5-(2-Cyclohexylidenehydrazino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(phenylsulfamoyl)phenyl]propanamide | C23H27N7O3S2

3-{[5-(2-Cyclohexylidenehydrazino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(phenylsulfamoyl)phenyl]propanamide

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID62506084

More details:

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

3-{[5-(2-Cyclohexylidenehydrazino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(phenylsulfamoyl)phenyl]propanamide [ACD/IUPAC Name]
3-{[5-(2-Cyclohexylidènehydrazino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(phénylsulfamoyl)phényl]propanamide [French] [ACD/IUPAC Name]
3-{[5-(2-Cyclohexylidenhydrazino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(phenylsulfamoyl)phenyl]propanamid [German] [ACD/IUPAC Name]
Propanamide, 3-[[5-(2-cyclohexylidenehydrazinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-[(phenylamino)sulfonyl]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: 1.710
Molar Refractivity: 138.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.40
ACD/KOC (pH 5.5): 2217.34
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 319.73
ACD/KOC (pH 7.4): 2132.82
Polar Surface Area: 175 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 353.4±7.0 cm3

Click to predict properties on the Chemicalize site


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