ChemSpider 2D Image | 6-(2,4-Difluorophenoxy)-N-[(2R)-1-(methylsulfonyl)-2-propanyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine | C15H15F2N5O3S

6-(2,4-Difluorophenoxy)-N-[(2R)-1-(methylsulfonyl)-2-propanyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine

  • Molecular FormulaC15H15F2N5O3S
  • Average mass383.373 Da
  • Monoisotopic mass383.086365 Da
  • ChemSpider ID25058363
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Pyrazolo[3,4-d]pyrimidin-3-amine, 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]- [ACD/Index Name]
6-(2,4-Difluorophenoxy)-N-[(1r)-1-Methyl-2-(Methylsulfonyl)ethyl]-1h-Pyrazolo[3,4-D]pyrimidin-3-Amine
6-(2,4-Difluorophenoxy)-N-[(2R)-1-(methylsulfonyl)-2-propanyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine [ACD/IUPAC Name]
6-(2,4-Difluorophénoxy)-N-[(2R)-1-(méthylsulfonyl)-2-propanyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine [French] [ACD/IUPAC Name]
6-(2,4-Difluorphenoxy)-N-[(2R)-1-(methylsulfonyl)-2-propanyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amin [German] [ACD/IUPAC Name]
ξ2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 684.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.84
ACD/KOC (pH 5.5): 107.17
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 61.31
Polar Surface Area: 118 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 250.9±3.0 cm3

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