Found 3 results

Search term: ZYAUUUUKFRDVKN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-Chloro-1-methyl-N-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C15H13ClF3N5

6-Chloro-1-methyl-N-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC15H13ClF3N5
  • Average mass355.745 Da
  • Monoisotopic mass355.081146 Da
  • ChemSpider ID129106734

  • 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-4-amine, 6-chloro-1-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]- [ACD/Index Name]
6-Chlor-1-methyl-N-{(1S)-1-[4-(trifluormethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
6-Chloro-1-methyl-N-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
6-Chloro-1-méthyl-N-{(1S)-1-[4-(trifluorométhyl)phényl]éthyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC 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: 432.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.1±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 542.48
ACD/KOC (pH 5.5): 3153.23
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 543.00
ACD/KOC (pH 7.4): 3156.25
Polar Surface Area: 56 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 239.8±7.0 cm3

Click to predict properties on the Chemicalize site


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