ChemSpider 2D Image | 1-[(5-Ethyl-2-thienyl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidine | C14H20N4O4S3

1-[(5-Ethyl-2-thienyl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidine

  • Molecular FormulaC14H20N4O4S3
  • Average mass404.528 Da
  • Monoisotopic mass404.064667 Da
  • ChemSpider ID39432291

More details:

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

1-[(5-Ethyl-2-thienyl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidin [German] [ACD/IUPAC Name]
1-[(5-Ethyl-2-thienyl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidine [ACD/IUPAC Name]
1-[(5-Éthyl-2-thiényl)sulfonyl]-4-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfonyl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(5-ethyl-2-thienyl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]- [ACD/Index Name]
1-((5-ethylthiophen-2-yl)sulfonyl)-4-((4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl)piperidine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 630.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.1±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: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.72
ACD/KOC (pH 5.5): 163.95
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.72
ACD/KOC (pH 7.4): 163.95
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