ChemSpider 2D Image | BAY-73-6691 | C15H12ClF3N4O

BAY-73-6691

  • Molecular FormulaC15H12ClF3N4O
  • Average mass356.730 Da
  • Monoisotopic mass356.065186 Da
  • ChemSpider ID23345601

More details:

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

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
1-(2-Chlorophényl)-6-(3,3,3-trifluoro-2-méthylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
1-(2-Chlorphenyl)-6-(3,3,3-trifluor-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1-(2-chlorophenyl)-1,5-dihydro-6-(3,3,3-trifluoro-2-methylpropyl)- [ACD/Index Name]
BAY-73-6691
(R)-BAY 73-6691
1-(2-chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-Chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
794568-90-4 [RN]
794568-92-6 [RN]
More...

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

Density: 1.5±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 82.6±0.0 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.17
ACD/KOC (pH 5.5): 1121.85
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 100.55
ACD/KOC (pH 7.4): 880.11
Polar Surface Area: 59 Å2
Polarizability: 32.7±0.0 10-24cm3
Surface Tension: 45.2±0.0 dyne/cm
Molar Volume: 233.2±0.0 cm3

Click to predict properties on the Chemicalize site


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