ChemSpider 2D Image | Ethyl 1-[2-(ethylsulfonyl)ethyl]-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazole-4-carboxylate | C15H26N4O6S

Ethyl 1-[2-(ethylsulfonyl)ethyl]-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC15H26N4O6S
  • Average mass390.455 Da
  • Monoisotopic mass390.157318 Da
  • ChemSpider ID47848923

More details:

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

1-[2-(Éthylsulfonyl)éthyl]-5-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-1H-1,2,3-triazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-1-[2-(ethylsulfonyl)ethyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[2-(ethylsulfonyl)ethyl]-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-[2-(ethylsulfonyl)ethyl]-5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.555
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.16
ACD/KOC (pH 5.5): 60.33
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 60.31
Polar Surface Area: 138 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 299.3±7.0 cm3

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