ChemSpider 2D Image | ethyl 5-[4-(acetyloxy)phenyl]-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H26N2O7S

ethyl 5-[4-(acetyloxy)phenyl]-2-(3,4-dimethoxybenzylidene)-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 ID10121896

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(4-Acétoxyphényl)-2-(3,4-diméthoxybenzylidène)-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)phenyl]-2-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(4-acetoxyphenyl)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
ethyl 5-[4-(acetyloxy)phenyl]-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Ethyl-(2E)-5-(4-acetoxyphenyl)-2-(3,4-dimethoxybenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(E)-ethyl 5-(4-acetoxyphenyl)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
314045-75-5 [RN]
ethyl (2E)-5-(4-acetyloxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-[(3,4-dimethoxyphenyl)methylidene]-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: 655.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 350.1±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: 4.71
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 274.99
    ACD/KOC (pH 5.5): 1939.42
    ACD/LogD (pH 7.4): 3.51
    ACD/BCF (pH 7.4): 274.99
    ACD/KOC (pH 7.4): 1939.42
    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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