Found 34 results

Search term: MF = 'C_{29}H_{32}F_{2}N_{6}O'
ChemSpider 2D Image | 2-(4-Fluorophenyl)-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(2R)-2-pentanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)ethanone | C29H32F2N6O

2-(4-Fluorophenyl)-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(2R)-2-pentanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)ethanone

  • Molecular FormulaC29H32F2N6O
  • Average mass518.601 Da
  • Monoisotopic mass518.260559 Da
  • ChemSpider ID62500052

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(4-Fluorophenyl)-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(2R)-2-pentanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-(4-Fluorophényl)-1-(4-{1-(4-fluorophényl)-3-méthyl-6-[(2R)-2-pentanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
2-(4-Fluorphenyl)-1-(4-{1-(4-fluorphenyl)-3-methyl-6-[(2R)-2-pentanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(4-fluorophenyl)-1-[4-[1-(4-fluorophenyl)-3-methyl-6-[(1R)-1-methylbutyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl]- [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: 605.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2257.69
ACD/KOC (pH 5.5): 7883.23
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3244.38
ACD/KOC (pH 7.4): 11328.50
Polar Surface Area: 67 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 403.2±7.0 cm3

Click to predict properties on the Chemicalize site


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