ChemSpider 2D Image | 2-(4-Ethyl-1-piperazinyl)-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-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)-[3-(4-methylbenzyl)-4-oxo-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 ID4735624

  • 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)-[3-(4-methylbenzyl)-4-oxo-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)-[3-(4-methylbenzyl)-4-oxo-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)-[3-(4-méthylbenzyl)-4-oxo-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)-[3-(4-methylbenzyl)-4-oxo-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)-[3-[(4-methylphenyl)methyl]-4-oxo-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-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
487033-35-2 [RN]
5-{[2-(4-ethylpiperazinyl)-7-methyl-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)]methylene}-3-[(4-methylphenyl)methyl]-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: 578.4±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: 303.6±32.9 °C
    Index of Refraction: 1.699
    Molar Refractivity: 149.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.49
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 9.75
    Polar Surface Area: 117 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 53.3±7.0 dyne/cm
    Molar Volume: 387.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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