ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}-1-piperazinecarboxylate | C15H24N4O6S

2-Methyl-2-propanyl 4-{[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}-1-piperazinecarboxylate

  • Molecular FormulaC15H24N4O6S
  • Average mass388.439 Da
  • Monoisotopic mass388.141663 Da
  • ChemSpider ID21924531

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[4-(Éthoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-{[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}piperazine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.25
ACD/KOC (pH 5.5): 267.20
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.60
ACD/KOC (pH 7.4): 257.10
Polar Surface Area: 130 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 289.0±3.0 cm3

Click to predict properties on the Chemicalize site


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