ChemSpider 2D Image | 2-[(4-Ethyl-5-{[(4-methylphenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide | C15H21N5O3S2

2-[(4-Ethyl-5-{[(4-methylphenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

  • Molecular FormulaC15H21N5O3S2
  • Average mass383.489 Da
  • Monoisotopic mass383.108582 Da
  • ChemSpider ID22236128

More details:

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

2-[(4-Ethyl-5-{[(4-methylphenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
2-[(4-Ethyl-5-{[(4-methylphenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide [ACD/IUPAC Name]
2-[(4-Éthyl-5-{[(4-méthylphényl)(méthylsulfonyl)amino]méthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-ethyl-5-[[(4-methylphenyl)(methylsulfonyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
2-{4-Ethyl-5-[(methanesulfonyl-p-tolyl-amino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.1±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 77.73
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 77.73
Polar Surface Area: 145 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 274.3±7.0 cm3

Click to predict properties on the Chemicalize site


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