ChemSpider 2D Image | 1-(2,4-Difluorobenzoyl)-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-piperidinecarboxamide | C24H20F2N6O3

1-(2,4-Difluorobenzoyl)-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-piperidinecarboxamide

  • Molecular FormulaC24H20F2N6O3
  • Average mass478.451 Da
  • Monoisotopic mass478.156494 Da
  • ChemSpider ID33729743

More details:

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

1-(2,4-Difluorbenzoyl)-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-(2,4-Difluorobenzoyl)-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-(2,4-Difluorobenzoyl)-N-[2-(4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phényl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-(2,4-difluorobenzoyl)-N-[2-(4,5-dihydro-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]- [ACD/Index 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: 793.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.7±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.09
ACD/KOC (pH 5.5): 126.89
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 118.00
Polar Surface Area: 109 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 314.0±7.0 cm3

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