ChemSpider 2D Image | [(5S,7R)-5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone | C23H27F3N4O5

[(5S,7R)-5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone

  • Molecular FormulaC23H27F3N4O5
  • Average mass496.479 Da
  • Monoisotopic mass496.193359 Da
  • ChemSpider ID62474726

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(5S,7R)-5-(3,4-Dimethoxyphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanon [German] [ACD/IUPAC Name]
[(5S,7R)-5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone [ACD/IUPAC Name]
[(5S,7R)-5-(3,4-Diméthoxyphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl](1,4-dioxa-8-azaspiro[4.5]déc-8-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(5S,7R)-5-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]dec-8-yl- [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: 651.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.20
ACD/KOC (pH 5.5): 183.47
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.20
ACD/KOC (pH 7.4): 183.49
Polar Surface Area: 87 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 331.8±7.0 cm3

Click to predict properties on the Chemicalize site


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