ChemSpider 2D Image | (2s)-1-[(5-Chloro-2-Thienyl)methyl]-8-[(3r,5r)-3,5-Dimethylmorpholin-4-Yl]-2-(Trifluoromethyl)-3,4-Dihydro-2h-Pyrimido[1,2-A]pyrimidin-6-One | C19H22ClF3N4O2S

(2s)-1-[(5-Chloro-2-Thienyl)methyl]-8-[(3r,5r)-3,5-Dimethylmorpholin-4-Yl]-2-(Trifluoromethyl)-3,4-Dihydro-2h-Pyrimido[1,2-A]pyrimidin-6-One

  • Molecular FormulaC19H22ClF3N4O2S
  • Average mass462.917 Da
  • Monoisotopic mass462.110413 Da
  • ChemSpider ID35034472

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2s)-1-[(5-Chloro-2-Thienyl)methyl]-8-[(3r,5r)-3,5-Dimethylmorpholin-4-Yl]-2-(Trifluoromethyl)-3,4-Dihydro-2h-Pyrimido[1,2-A]pyrimidin-6-One
(8S)-9-[(5-Chlor-2-thienyl)methyl]-2-[(3R,5R)-3,5-dimethyl-4-morpholinyl]-8-(trifluormethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
(8S)-9-[(5-Chloro-2-thienyl)methyl]-2-[(3R,5R)-3,5-dimethyl-4-morpholinyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
(8S)-9-[(5-Chloro-2-thiényl)méthyl]-2-[(3R,5R)-3,5-diméthyl-4-morpholinyl]-8-(trifluorométhyl)-6,7,8,9-tétrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[1,2-a]pyrimidin-4-one, 9-[(5-chloro-2-thienyl)methyl]-2-[(3R,5R)-3,5-dimethyl-4-morpholinyl]-6,7,8,9-tetrahydro-8-(trifluoromethyl)-, (8S)- [ACD/Index Name]
UJB

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

Density: 1.5±0.1 g/cm3
Boiling Point: 515.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.6±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.94
ACD/KOC (pH 5.5): 1019.21
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.94
ACD/KOC (pH 7.4): 1019.22
Polar Surface Area: 77 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 301.2±7.0 cm3

Click to predict properties on the Chemicalize site


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