ChemSpider 2D Image | 2-(4-Benzyl-1-piperazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C27H29N5O2S2

2-(4-Benzyl-1-piperazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC27H29N5O2S2
  • Average mass519.682 Da
  • Monoisotopic mass519.176270 Da
  • ChemSpider ID1262245

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(4-Benzyl-1-piperazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-(4-Benzyl-1-piperazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-(4-Benzyl-1-pipérazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-9-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
2-(4-Benzylpiperazin-1-yl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-[(Z)-[3-(1-methylethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-{[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
(Z)-5-((2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one
2-(4-benzylpiperazin-1-yl)-9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
3-(methylethyl)-5-({9-methyl-4-oxo-2-[4-benzylpiperazinyl](5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-2-thioxo-1,3-thiazolidin-4-one
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 562.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 293.9±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: 2.72
    ACD/LogD (pH 5.5): 0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.69
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 1.16
    ACD/KOC (pH 7.4): 14.41
    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


    Advertisement