ChemSpider 2D Image | 2-[(6R)-1-(2,4-Dimethylphenyl)-4-oxo-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-6-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide | C24H19F4N5O2S

2-[(6R)-1-(2,4-Dimethylphenyl)-4-oxo-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-6-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

  • Molecular FormulaC24H19F4N5O2S
  • Average mass517.499 Da
  • Monoisotopic mass517.119568 Da
  • ChemSpider ID62540175

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(6R)-1-(2,4-Dimethylphenyl)-4-oxo-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-6-yl]-N-[4-fluor-3-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-[(6R)-1-(2,4-Dimethylphenyl)-4-oxo-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-6-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
2-[(6R)-1-(2,4-Diméthylphényl)-4-oxo-1,4,6,7-tétrahydropyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-6-yl]-N-[4-fluoro-3-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC Name]
Pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidine-6-acetamide, 1-(2,4-dimethylphenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydro-4-oxo-, (6R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 126.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 315.45
ACD/KOC (pH 5.5): 2139.63
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 315.45
ACD/KOC (pH 7.4): 2139.62
Polar Surface Area: 105 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 335.9±7.0 cm3

Click to predict properties on the Chemicalize site


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