ChemSpider 2D Image | Ethyl 4-{4-[(2,5-difluorophenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-1-piperazinecarboxylate | C19H21F2N7O2

Ethyl 4-{4-[(2,5-difluorophenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-1-piperazinecarboxylate

  • Molecular FormulaC19H21F2N7O2
  • Average mass417.413 Da
  • Monoisotopic mass417.172485 Da
  • ChemSpider ID125771887

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[(2,5-difluorophenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-, ethyl ester [ACD/Index Name]
4-{4-[(2,5-Difluorophényl)amino]-1-méthyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[(2,5-difluorophenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[(2,5-difluorphenyl)amino]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 578.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 71.68
ACD/KOC (pH 5.5): 663.90
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.78
ACD/KOC (pH 7.4): 970.49
Polar Surface Area: 88 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 283.3±7.0 cm3

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