ChemSpider 2D Image | 3-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C23H27N5O4S3

3-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC23H27N5O4S3
  • Average mass533.687 Da
  • Monoisotopic mass533.122498 Da
  • ChemSpider ID12056719

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-{(E)-[3-(1,1-Dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{(E)-[3-(1,1-Dioxydotétrahydro-3-thiophényl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-2-(4-éthyl-1-pipérazinyl)-9-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(4-ethyl-1-piperazinyl)-9-methyl-3-[(E)-[4-oxo-3-(tetrahydro-1,1-dioxido-3-thienyl)-2-thioxo-5-thiazolidinylidene]methyl]- [ACD/Index Name]

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

Density: 1.6±0.0 g/cm3
Boiling Point: 631.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 93.3±0.0 kJ/mol
Flash Point: 335.6±0.0 °C
Index of Refraction: 1.755
Molar Refractivity: 140.9±0.0 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.28
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 159 Å2
Polarizability: 55.9±0.0 10-24cm3
Surface Tension: 66.0±0.0 dyne/cm
Molar Volume: 344.0±0.0 cm3

Click to predict properties on the Chemicalize site


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