ChemSpider 2D Image | 3-{[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfonyl}-N,N-dimethyl-1-propanesulfonamide | C14H20N4O4S3

3-{[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfonyl}-N,N-dimethyl-1-propanesulfonamide

  • Molecular FormulaC14H20N4O4S3
  • Average mass404.528 Da
  • Monoisotopic mass404.064667 Da
  • ChemSpider ID30277909

More details:

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

1-Propanesulfonamide, 3-[[4-cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfonyl]-N,N-dimethyl- [ACD/Index Name]
3-{[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfonyl}-N,N-dimethyl-1-propanesulfonamide [ACD/IUPAC Name]
3-{[4-Cyclopropyl-5-(2-thiényl)-4H-1,2,4-triazol-3-yl]sulfonyl}-N,N-diméthyl-1-propanesulfonamide [French] [ACD/IUPAC Name]
3-{[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfonyl}-N,N-dimethyl-1-propansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 637.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.4±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 106.36
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 106.36
Polar Surface Area: 147 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 256.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement