ChemSpider 2D Image | BAY 73-6691 | C15H12ClF3N4O

BAY 73-6691

  • Molecular FormulaC15H12ClF3N4O
  • Average mass356.730 Da
  • Monoisotopic mass356.065186 Da
  • ChemSpider ID21171546
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-(2-Chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
1-(2-Chlorophényl)-6-[(2R)-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-[(2R)-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-[(2R)-3,3,3-trifluoro-2-methylpropyl]- [ACD/Index Name]
794568-92-6 [RN]
80ZTV3INTW
BAY 73-6691 [Wiki]
(R)-1-(2-chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
1-(2-Chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-one
1-(2-Chlorophenyl)-6-[(2r)-3,3,3-Trifluoro-2-Methylpropyl]-1,7-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

B3561_SIGMA [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.13
ACD/KOC (pH 5.5): 675.71
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 49.52
ACD/KOC (pH 7.4): 530.11
Polar Surface Area: 59 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 233.2±7.0 cm3

Click to predict properties on the Chemicalize site





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