ChemSpider 2D Image | N'-[(1E)-1-(4-Hydroxy-3-methoxyphenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide | C28H28N4O4S2

N'-[(1E)-1-(4-Hydroxy-3-methoxyphenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID12258302

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[3,4,5,6,7,8-hexahydro-3-(4-methylphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-, 2-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]hydrazide [ACD/Index Name]
N'-[(1E)-1-(4-Hydroxy-3-methoxyphenyl)ethyliden]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazid [German] [ACD/IUPAC Name]
N'-[(1E)-1-(4-Hydroxy-3-methoxyphenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide [ACD/IUPAC Name]
N'-[(1E)-1-(4-Hydroxy-3-méthoxyphényl)éthylidène]-2-{[3-(4-méthylphényl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}acétohydrazide [French] [ACD/IUPAC Name]
(E)-N'-(1-(4-hydroxy-3-methoxyphenyl)ethylidene)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetohydrazide
497082-79-8 [RN]
N-[(1E)-2-(4-hydroxy-3-methoxyphenyl)-1-azaprop-1-enyl]-2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.702
    Molar Refractivity: 151.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.82
    ACD/LogD (pH 5.5): 4.43
    ACD/BCF (pH 5.5): 1369.12
    ACD/KOC (pH 5.5): 6118.13
    ACD/LogD (pH 7.4): 4.42
    ACD/BCF (pH 7.4): 1331.65
    ACD/KOC (pH 7.4): 5950.69
    Polar Surface Area: 157 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 56.3±7.0 dyne/cm
    Molar Volume: 389.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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