ChemSpider 2D Image | [5-(4-Methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-thiomorpholinyl)methanone | C19H21F3N4O2S

[5-(4-Methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-thiomorpholinyl)methanone

  • Molecular FormulaC19H21F3N4O2S
  • Average mass426.456 Da
  • Monoisotopic mass426.133728 Da
  • ChemSpider ID17770375

More details:

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

[5-(4-Methoxyphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-thiomorpholinyl)methanon [German] [ACD/IUPAC Name]
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-thiomorpholinyl)methanone [ACD/IUPAC Name]
[5-(4-Méthoxyphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-thiomorpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4,5,6,7-tetrahydro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-thiomorpholinyl- [ACD/Index Name]
[5-(4-METHOXYPHENYL)-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDIN-2-YL]-THIOMORPHOLIN-4-YLMETHANONE
5-(4-methoxyphenyl)-2-(4-thiomorpholinylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.2±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.44
ACD/KOC (pH 5.5): 280.28
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.44
ACD/KOC (pH 7.4): 280.32
Polar Surface Area: 85 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 286.7±7.0 cm3

Click to predict properties on the Chemicalize site


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