ChemSpider 2D Image | N-{2-[4-(4-Benzyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-2-(methylsulfanyl)nicotinamide | C25H28N8OS

N-{2-[4-(4-Benzyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-2-(methylsulfanyl)nicotinamide

  • Molecular FormulaC25H28N8OS
  • Average mass488.608 Da
  • Monoisotopic mass488.210663 Da
  • ChemSpider ID39323521

More details:

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

3-Pyridinecarboxamide, 2-(methylthio)-N-[2-[4-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]- [ACD/Index Name]
N-{2-[4-(4-Benzyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-2-(methylsulfanyl)nicotinamid [German] [ACD/IUPAC Name]
N-{2-[4-(4-Benzyl-1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-2-(methylsulfanyl)nicotinamide [ACD/IUPAC Name]
N-{2-[4-(4-Benzyl-1-pipérazinyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}-2-(méthylsulfanyl)nicotinamide [French] [ACD/IUPAC Name]
N-(2-(4-(4-benzylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2-(methylthio)nicotinamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.4±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 102.91
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.58
ACD/KOC (pH 7.4): 389.49
Polar Surface Area: 117 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

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