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

3-({5-[(2E)-2-(4-Methylbenzylidene)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID62442034

  • Double-bond stereo - Double-bond stereo

More details:

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

3-({5-[(2E)-2-(4-Methylbenzyliden)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamid [German] [ACD/IUPAC Name]
3-({5-[(2E)-2-(4-Methylbenzylidene)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide [ACD/IUPAC Name]
3-({5-[(2E)-2-(4-Méthylbenzylidène)hydrazino]-1H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(1-pyrrolidinylsulfonyl)phényl]propanamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[5-[(2E)-2-[(4-methylphenyl)methylene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]- [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: 1.702
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 601.18
ACD/KOC (pH 5.5): 3390.60
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 600.91
ACD/KOC (pH 7.4): 3389.08
Polar Surface Area: 166 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 358.6±7.0 cm3

Click to predict properties on the Chemicalize site


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