ChemSpider 2D Image | 2-(4-Ethyl-1-piperazinyl)-7-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one | C27H29N5O2S2

2-(4-Ethyl-1-piperazinyl)-7-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC27H29N5O2S2
  • Average mass519.682 Da
  • Monoisotopic mass519.176270 Da
  • ChemSpider ID4726779

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Ethyl-1-piperazinyl)-7-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-(4-Ethyl-1-piperazinyl)-7-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-(4-Éthyl-1-pipérazinyl)-7-méthyl-3-{(Z)-[4-oxo-3-(2-phényléthyl)-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
2-(4-ethylpiperazin-1-yl)-7-methyl-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(4-ethyl-1-piperazinyl)-7-methyl-3-[(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-5-thiazolidinylidene]methyl]- [ACD/Index Name]
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-{[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
489440-73-5 [RN]
5-{[2-(4-ethylpiperazinyl)-7-methyl-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)]methylene}-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 579.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.6±3.0 kJ/mol
    Flash Point: 303.9±32.9 °C
    Index of Refraction: 1.698
    Molar Refractivity: 149.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.03
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.72
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 1.12
    ACD/KOC (pH 7.4): 13.19
    Polar Surface Area: 117 Å2
    Polarizability: 59.3±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 388.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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