ChemSpider 2D Image | 3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(2,6-dimethyl-4-morpholinyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C29H32N4O5S2

3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(2,6-dimethyl-4-morpholinyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID11884396

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden}methyl]-2-(2,6-dimethyl-4-morpholinyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(2,6-dimethyl-4-morpholinyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[(E)-{3-[2-(3,4-Diméthoxyphényl)éthyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène}méthyl]-2-(2,6-diméthyl-4-morpholinyl)-7-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(2,6-dimethylmorpholin-4-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-(2,6-dimethyl-4-morpholinyl)-7-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.1±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.37
ACD/KOC (pH 5.5): 575.47
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.37
ACD/KOC (pH 7.4): 575.48
Polar Surface Area: 141 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 426.0±7.0 cm3

Click to predict properties on the Chemicalize site


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