ChemSpider 2D Image | Isopropyl 4-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1-piperazinecarboxylate | C25H34N6O6S

Isopropyl 4-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1-piperazinecarboxylate

  • Molecular FormulaC25H34N6O6S
  • Average mass546.639 Da
  • Monoisotopic mass546.226074 Da
  • ChemSpider ID8134750

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-, 1-methylethyl ester [ACD/Index Name]
4-{[4-Éthoxy-3-(1-méthyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phényl]sulfonyl}-1-pipérazinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 4-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Isopropyl-4-{[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.8±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.65
ACD/KOC (pH 5.5): 710.73
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.65
ACD/KOC (pH 7.4): 710.75
Polar Surface Area: 144 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 390.3±7.0 cm3

Click to predict properties on the Chemicalize site


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