ChemSpider 2D Image | MFCD01958330 | C28H28N2O5S

MFCD01958330

  • Molecular FormulaC28H28N2O5S
  • Average mass504.597 Da
  • Monoisotopic mass504.171906 Da
  • ChemSpider ID17476097

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Acétoxybenzylidène)-7-méthyl-5-[4-(2-méthyl-2-propanyl)phényl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[2-(acetyloxy)phenyl]methylene]-5-[4-(1,1-dimethylethyl)phenyl]-2,3-dihydro-7-methyl-3-oxo-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-2-(2-acetoxybenzylidene)-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Methyl (2E)-2-(2-acetoxybenzylidene)-7-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
methyl (2E)-2-[2-(acetyloxy)benzylidene]-5-(4-tert-butylphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Methyl-(2E)-2-(2-acetoxybenzyliden)-7-methyl-5-[4-(2-methyl-2-propanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD01958330
374601-52-2 [RN]
methyl (2E)-2-[(2-acetyloxyphenyl)methylidene]-5-(4-tert-butylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl (2E)-2-{[2-(acetyloxy)phenyl]methylidene}-5-(4-tert-butylphenyl)-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: 627.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.9±3.0 kJ/mol
    Flash Point: 333.3±34.3 °C
    Index of Refraction: 1.615
    Molar Refractivity: 141.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.04
    ACD/LogD (pH 5.5): 5.32
    ACD/BCF (pH 5.5): 6490.58
    ACD/KOC (pH 5.5): 18639.05
    ACD/LogD (pH 7.4): 5.32
    ACD/BCF (pH 7.4): 6490.58
    ACD/KOC (pH 7.4): 18639.05
    Polar Surface Area: 111 Å2
    Polarizability: 55.9±0.5 10-24cm3
    Surface Tension: 44.9±7.0 dyne/cm
    Molar Volume: 403.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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