ChemSpider 2D Image | 1-(4-Ethyl-1-piperazinyl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanone | C23H30N8O

1-(4-Ethyl-1-piperazinyl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanone

  • Molecular FormulaC23H30N8O
  • Average mass434.537 Da
  • Monoisotopic mass434.254272 Da
  • ChemSpider ID29249714

More details:

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

1-(4-Ethyl-1-piperazinyl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanon [German] [ACD/IUPAC Name]
1-(4-Ethyl-1-piperazinyl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanone [ACD/IUPAC Name]
1-(4-Éthyl-1-pipérazinyl)-2-[4-(4-phényl-1-pipérazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(4-ethyl-1-piperazinyl)-2-[4-(4-phenyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]- [ACD/Index 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: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.26
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.55
ACD/KOC (pH 7.4): 83.14
Polar Surface Area: 74 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 324.5±7.0 cm3

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