ChemSpider 2D Image | 2-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one | C26H24N6O2S2

2-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC26H24N6O2S2
  • Average mass516.638 Da
  • Monoisotopic mass516.140198 Da
  • ChemSpider ID4754609

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[3-(1H-Imidazol-1-yl)propyl]amino}-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-{[3-(1H-Imidazol-1-yl)propyl]amino}-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-{[3-(1H-Imidazol-1-yl)propyl]amino}-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]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[[3-(1H-imidazol-1-yl)propyl]amino]-3-[(Z)-[3-[(4-methylphenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]- [ACD/Index Name]
(5Z)-5-[(2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
499116-70-0 [RN]
5-({2-[(3-imidazolylpropyl)amino]-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-3-[(4-methylphenyl)methyl]-2-thioxo-1,3-thiazolidin-4-one

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

ZINC02351632 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 652.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.2±3.0 kJ/mol
    Flash Point: 348.7±34.3 °C
    Index of Refraction: 1.724
    Molar Refractivity: 147.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.27
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.22
    ACD/KOC (pH 7.4): 118.70
    Polar Surface Area: 140 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 58.7±7.0 dyne/cm
    Molar Volume: 371.4±7.0 cm3

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