ChemSpider 2D Image | 6-(4-Fluorophenyl)-5-(4-morpholinyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one | C21H17FN4O2S2

6-(4-Fluorophenyl)-5-(4-morpholinyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

  • Molecular FormulaC21H17FN4O2S2
  • Average mass440.514 Da
  • Monoisotopic mass440.077698 Da
  • ChemSpider ID21125903

More details:

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

6-(4-Fluorophenyl)-5-(4-morpholinyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one [ACD/IUPAC Name]
6-(4-Fluorophényl)-5-(4-morpholinyl)-3-phényl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one [French] [ACD/IUPAC Name]
6-(4-Fluorphenyl)-5-(4-morpholinyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-on [German] [ACD/IUPAC Name]
Thiazolo[4,5-d]pyrimidin-7(6H)-one, 6-(4-fluorophenyl)-2,3-dihydro-5-(4-morpholinyl)-3-phenyl-2-thioxo- [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: 577.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.8±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.24
ACD/KOC (pH 5.5): 170.92
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.24
ACD/KOC (pH 7.4): 170.92
Polar Surface Area: 106 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 294.8±7.0 cm3

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