ChemSpider 2D Image | Ethyl 1-{3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-4-piperidinecarboxylate | C28H28N4O4S2

Ethyl 1-{3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-4-piperidinecarboxylate

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID4749074

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-9-méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[9-methyl-4-oxo-3-[(Z)-[4-oxo-3-(phenylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl 1-{3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate
Ethyl-1-{3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
(Z)-ethyl 1-(3-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
615271-64-2 [RN]
AC1NZZ5P
AKOS002178378
ethyl 1-(3-{[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 601.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.5±3.0 kJ/mol
    Flash Point: 317.4±34.3 °C
    Index of Refraction: 1.694
    Molar Refractivity: 152.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 51.72
    ACD/KOC (pH 5.5): 586.49
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 51.72
    ACD/KOC (pH 7.4): 586.52
    Polar Surface Area: 140 Å2
    Polarizability: 60.4±0.5 10-24cm3
    Surface Tension: 55.4±7.0 dyne/cm
    Molar Volume: 397.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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