ChemSpider 2D Image | 5-[4-(4-Morpholinyl)-3-nitrobenzylidene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C27H22N4O5S

5-[4-(4-Morpholinyl)-3-nitrobenzylidene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID4272176

More details:

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

4,6(1H,5H)-Pyrimidinedione, dihydro-5-[[4-(4-morpholinyl)-3-nitrophenyl]methylene]-1,3-diphenyl-2-thioxo- [ACD/Index Name]
5-[4-(4-Morpholinyl)-3-nitrobenzyliden]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
5-[4-(4-Morpholinyl)-3-nitrobenzylidene]-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-[4-(4-Morpholinyl)-3-nitrobenzylidène]-1,3-diphényl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-[(4-morpholin-4-yl-3-nitrophenyl)methylene]-1,3-diphenyl-2-thioxo-1,3-dihydropyrimidine-4,6-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 450.34
ACD/KOC (pH 5.5): 2760.61
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 450.34
ACD/KOC (pH 7.4): 2760.64
Polar Surface Area: 131 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 346.0±5.0 cm3

Click to predict properties on the Chemicalize site


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