ChemSpider 2D Image | Ethyl 5-{[3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]sulfamoyl}-1H-pyrazole-4-carboxylate | C15H26N4O6S

Ethyl 5-{[3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]sulfamoyl}-1H-pyrazole-4-carboxylate

  • Molecular FormulaC15H26N4O6S
  • Average mass390.455 Da
  • Monoisotopic mass390.157318 Da
  • ChemSpider ID30147312

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[[3-[[(1,1-dimethylethoxy)carbonyl]methylamino]propyl]amino]sulfonyl]-, ethyl ester [ACD/Index Name]
5-{[3-(Méthyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propyl]sulfamoyl}-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{[3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]sulfamoyl}-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-{[3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]sulfamoyl}-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: 572.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.7±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.65
ACD/KOC (pH 5.5): 324.12
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 14.62
ACD/KOC (pH 7.4): 209.18
Polar Surface Area: 139 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 308.8±3.0 cm3

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