ChemSpider 2D Image | 1-(1-Azepanyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethanone | C22H28N8O

1-(1-Azepanyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethanone

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID29249821

More details:

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

1-(1-Azepanyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethanon [German] [ACD/IUPAC Name]
1-(1-Azepanyl)-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethanone [ACD/IUPAC Name]
1-(1-Azépanyl)-2-{4-[4-(2-pyridinyl)-1-pipérazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(hexahydro-1H-azepin-1-yl)-2-[4-[4-(2-pyridinyl)-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: 1.4±0.1 g/cm3
Boiling Point: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.7±31.5 °C
Index of Refraction: 1.723
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 21.89
Polar Surface Area: 83 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 303.2±7.0 cm3

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