ChemSpider 2D Image | MFCD01944866 | C27H29N5O2S2

MFCD01944866

  • Molecular FormulaC27H29N5O2S2
  • Average mass519.682 Da
  • Monoisotopic mass519.176270 Da
  • ChemSpider ID4727340

  • 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-butyl-4-oxo-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)-3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-(4-Benzyl-1-pipérazinyl)-3-[(Z)-(3-butyl-4-oxo-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)-3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
372504-24-0 [RN]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[(Z)-(3-butyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
MFCD01944866
(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-{[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
3-butyl-5-({4-oxo-2-[4-benzylpiperazinyl](5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-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: 568.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.4±3.0 kJ/mol
    Flash Point: 297.8±32.9 °C
    Index of Refraction: 1.697
    Molar Refractivity: 149.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.77
    ACD/LogD (pH 7.4): 0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.05
    Polar Surface Area: 117 Å2
    Polarizability: 59.4±0.5 10-24cm3
    Surface Tension: 55.5±7.0 dyne/cm
    Molar Volume: 388.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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