ChemSpider 2D Image | 5-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-(4-morpholinyl)-2-oxo-1-propyl-1,2-dihydro-3-pyridinecarbonitrile | C22H26N4O5S3

5-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-(4-morpholinyl)-2-oxo-1-propyl-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC22H26N4O5S3
  • Average mass522.661 Da
  • Monoisotopic mass522.106506 Da
  • ChemSpider ID12229327

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-6-(4-morpholinyl)-2-oxo-5-[(E)-[4-oxo-3-(tetrahydro-1,1-dioxido-3-thienyl)-2-thioxo-5-thiazolidinylidene]methyl]-1-propyl- [ACD/Index Name]
5-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-4-methyl-6-(4-morpholinyl)-2-oxo-1-propyl-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
5-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-(4-morpholinyl)-2-oxo-1-propyl-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
5-{(E)-[3-(1,1-Dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-(morpholin-4-yl)-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
5-{(E)-[3-(1,1-Dioxydotétrahydro-3-thiophényl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-4-méthyl-6-(4-morpholinyl)-2-oxo-1-propyl-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC 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: 598.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.5±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.71
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.71
Polar Surface Area: 177 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 344.8±5.0 cm3

Click to predict properties on the Chemicalize site


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