ChemSpider 2D Image | Ethyl 1-(4-oxo-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)-4-piperidinecarboxylate | C28H28N4O4S2

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

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID4814692

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Oxo-3-{(Z)-[4-oxo-3-(2-phényléthyl)-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-oxo-3-[(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-5-thiazolidinylidene]methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-oxo-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl 1-(4-oxo-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
Ethyl-1-(4-oxo-3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
(Z)-ethyl 1-(4-oxo-3-((4-oxo-3-phenethyl-2-thioxothiazolidin-5-ylidene)methyl)-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
615273-06-8 [RN]
ethyl 1-(4-oxo-3-{[(5Z)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
ethyl 1-(4-oxo-3-{[4-oxo-3-(2-phenylethyl)-2-thioxo(1,3-thiazolidin-5-ylidene)]methyl}-5-hydropyridino[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 605.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 320.2±34.3 °C
    Index of Refraction: 1.694
    Molar Refractivity: 152.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 44.87
    ACD/KOC (pH 5.5): 529.78
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 44.87
    ACD/KOC (pH 7.4): 529.79
    Polar Surface Area: 140 Å2
    Polarizability: 60.5±0.5 10-24cm3
    Surface Tension: 56.5±7.0 dyne/cm
    Molar Volume: 397.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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