ChemSpider 2D Image | MFCD01162900 | C27H26N2O7S

MFCD01162900

  • Molecular FormulaC27H26N2O7S
  • Average mass522.570 Da
  • Monoisotopic mass522.146057 Da
  • ChemSpider ID12233869

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(4-Acétoxy-3-méthoxyphényl)-2-(4-méthoxybenzylidène)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-(acetyloxy)-3-methoxyphenyl]-2,3-dihydro-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Ethyl-(2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(4-methoxybenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD01162900
324564-29-6 [RN]
4-{6-(ethoxycarbonyl)-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo(4,5-dihydr o-1,3-thiazolidino[3,2-a]pyrimidin-5-yl)}-2-methoxyphenyl acetate
4-{6-(ethoxycarbonyl)-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo(4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl)}-2-methoxyphenyl acetate
ethyl (2E)-5-(4-acetyloxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 639.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.5±3.0 kJ/mol
    Flash Point: 340.7±34.3 °C
    Index of Refraction: 1.618
    Molar Refractivity: 138.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.65
    ACD/LogD (pH 5.5): 4.01
    ACD/BCF (pH 5.5): 653.93
    ACD/KOC (pH 5.5): 3605.46
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 653.93
    ACD/KOC (pH 7.4): 3605.46
    Polar Surface Area: 129 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 47.0±7.0 dyne/cm
    Molar Volume: 396.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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