ChemSpider 2D Image | 3-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-ethoxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C22H26N4O5S3

3-{(E)-[3-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-ethoxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC22H26N4O5S3
  • Average mass522.661 Da
  • Monoisotopic mass522.106506 Da
  • ChemSpider ID12056750

  • 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-[(3-ethoxypropyl)amino]-7-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-[(3-ethoxypropyl)amino]-7-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-[(3-ethoxypropyl)amino]-7-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-[(3-éthoxypropyl)amino]-7-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[(3-ethoxypropyl)amino]-7-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: 1.5±0.0 g/cm3
Boiling Point: 630.6±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: 335.2±0.0 °C
Index of Refraction: 1.711
Molar Refractivity: 135.4±0.0 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.97
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.97
Polar Surface Area: 174 Å2
Polarizability: 53.7±0.0 10-24cm3
Surface Tension: 61.0±0.0 dyne/cm
Molar Volume: 346.1±0.0 cm3

Click to predict properties on the Chemicalize site


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