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

2-(4-Benzyl-1-piperazinyl)-7-methyl-3-[(Z)-(4-oxo-3-propyl-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 ID4701672

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Benzyl-1-piperazinyl)-7-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-(4-Benzyl-1-piperazinyl)-7-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-(4-Benzyl-1-pipérazinyl)-7-méthyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
2-(4-benzylpiperazin-1-yl)-7-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
4H-Pyrido[1,2-a]pyrimidin-4-one, 7-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-5-thiazolidinylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-{[2-(4-benzylpiperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
380582-19-4 [RN]
5-({7-methyl-4-oxo-2-[4-benzylpiperazinyl](5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-3-propyl-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: 565.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.9±3.0 kJ/mol
    Flash Point: 295.8±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: 2.90
    ACD/LogD (pH 5.5): 0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.67
    ACD/LogD (pH 7.4): 0.80
    ACD/BCF (pH 7.4): 1.01
    ACD/KOC (pH 7.4): 12.62
    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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