ChemSpider 2D Image | Allyl (2Z)-5-(4-acetoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H24N2O6S

Allyl (2Z)-5-(4-acetoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H24N2O6S
  • Average mass504.554 Da
  • Monoisotopic mass504.135498 Da
  • ChemSpider ID4738695

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-(4-Acétoxyphényl)-2-(4-méthoxybenzylidène)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'allyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-(acetyloxy)phenyl]-2,3-dihydro-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-, 2-propen-1-yl ester, (2Z)- [ACD/Index Name]
Allyl (2Z)-5-(4-acetoxyphenyl)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Allyl-(2Z)-5-(4-acetoxyphenyl)-2-(4-methoxybenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
381195-48-8 [RN]
4-{2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-6-(prop-2-enyloxycarbonyl)-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl}phenyl acetate
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-enyl (2Z)-5-(4-acetyloxyphenyl)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-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: 650.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.8±3.0 kJ/mol
    Flash Point: 346.9±34.3 °C
    Index of Refraction: 1.622
    Molar Refractivity: 137.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.05
    ACD/LogD (pH 5.5): 4.29
    ACD/BCF (pH 5.5): 1068.44
    ACD/KOC (pH 5.5): 5123.65
    ACD/LogD (pH 7.4): 4.29
    ACD/BCF (pH 7.4): 1068.44
    ACD/KOC (pH 7.4): 5123.65
    Polar Surface Area: 120 Å2
    Polarizability: 54.5±0.5 10-24cm3
    Surface Tension: 47.6±7.0 dyne/cm
    Molar Volume: 390.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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