ChemSpider 2D Image | Ethyl (2Z)-2-(3-acetoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H26N2O7S

Ethyl (2Z)-2-(3-acetoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H26N2O7S
  • Average mass522.570 Da
  • Monoisotopic mass522.146057 Da
  • ChemSpider ID4792062

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(3-Acétoxybenzylidène)-5-(3,4-diméthoxyphényl)-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, 2-[[3-(acetyloxy)phenyl]methylene]-5-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-(3-acetoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-(3-acetoxybenzyliden)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
3-{[5-(3,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-2-ylidene]methyl}phenyl acetate
357432-81-6 [RN]
ethyl (2Z)-2-[(3-acetyloxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2Z)-2-[3-(acetyloxy)benzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2Z)-2-{[3-(acetyloxy)phenyl]methylidene}-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 650.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.9±3.0 kJ/mol
    Flash Point: 347.4±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: 4.62
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 262.73
    ACD/KOC (pH 5.5): 1877.11
    ACD/LogD (pH 7.4): 3.49
    ACD/BCF (pH 7.4): 262.73
    ACD/KOC (pH 7.4): 1877.11
    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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