ChemSpider 2D Image | [5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-methyloctahydro-1(2H)-quinolinyl)methanone | C26H33F3N4O3

[5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-methyloctahydro-1(2H)-quinolinyl)methanone

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID12522779

More details:

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

[5-(3,4-Dimethoxyphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-methyloctahydro-1(2H)-chinolinyl)methanon [German] [ACD/IUPAC Name]
[5-(3,4-Diméthoxyphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-méthyloctahydro-1(2H)-quinoléinyl)méthanone [French] [ACD/IUPAC Name]
[5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-methyloctahydro-1(2H)-quinolinyl)methanone [ACD/IUPAC Name]
Methanone, [5-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](octahydro-4-methyl-1(2H)-quinolinyl)- [ACD/Index Name]
[5-(3,4-DIMETHOXYPHENYL)-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDIN-2-YL]-(4-METHYL-3,4,4A,5,6,7,8,8A-OCTAHYDRO-2H-QUINOLIN-1-YL)METHANONE
[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](4-methyloctahydroquinolin-1(2H)-yl)methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 634.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 126.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.49
ACD/KOC (pH 5.5): 3383.74
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 598.59
ACD/KOC (pH 7.4): 3384.31
Polar Surface Area: 69 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 360.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement