ChemSpider 2D Image | 2-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one | C26H24N6O3S2

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

  • Molecular FormulaC26H24N6O3S2
  • Average mass532.637 Da
  • Monoisotopic mass532.135132 Da
  • ChemSpider ID4744601

  • 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-methoxybenzyl)-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-methoxybenzyl)-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-méthoxybenzyl)-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-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
(Z)-5-((2-((3-(1H-imidazol-1-yl)propyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-one
488857-98-3 [RN]
5-({2-[(3-imidazolylpropyl)amino]-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-3-[(4-methoxyphenyl)methyl]-2-thioxo-1,3-thiazolidin-4-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 669.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 358.8±34.3 °C
    Index of Refraction: 1.717
    Molar Refractivity: 148.7±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 0.83
    ACD/LogD (pH 5.5): -0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.93
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 3.24
    ACD/KOC (pH 7.4): 74.44
    Polar Surface Area: 149 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 59.0±7.0 dyne/cm
    Molar Volume: 377.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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