ChemSpider 2D Image | Ethyl 5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-{2-[(methylsulfonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate | C14H23N3O7S

Ethyl 5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-{2-[(methylsulfonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H23N3O7S
  • Average mass377.413 Da
  • Monoisotopic mass377.125671 Da
  • ChemSpider ID114839398

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[2-[(methylsulfonyl)oxy]ethyl]-, ethyl ester [ACD/Index Name]
5-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-1-{2-[(méthylsulfonyl)oxy]éthyl}-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-{2-[(methylsulfonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-{2-[(methylsulfonyl)oxy]ethyl}-1H-pyrazol-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: 514.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.0±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.36
ACD/KOC (pH 5.5): 567.22
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.36
ACD/KOC (pH 7.4): 567.22
Polar Surface Area: 134 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 285.0±7.0 cm3

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