ChemSpider 2D Image | SAR209 | C20H23F3N4O3

SAR209

  • Molecular FormulaC20H23F3N4O3
  • Average mass424.417 Da
  • Monoisotopic mass424.172211 Da
  • ChemSpider ID32674427

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8S)-9-[(2S)-2-Hydroxy-2-phenylethyl]-2-(4-morpholinyl)-8-(trifluormethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
(8S)-9-[(2S)-2-Hydroxy-2-phenylethyl]-2-(4-morpholinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
(8S)-9-[(2S)-2-Hydroxy-2-phényléthyl]-2-(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, 6,7,8,9-tetrahydro-9-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-morpholinyl)-8-(trifluoromethyl)-, (8S)- [ACD/Index Name]
SAR209
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4517404/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.6±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 120.29
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.66
ACD/KOC (pH 7.4): 120.29
Polar Surface Area: 69 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 292.5±7.0 cm3

Click to predict properties on the Chemicalize site


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