ChemSpider 2D Image | MFCD03417330 | C27H26N2O7S

MFCD03417330

  • Molecular FormulaC27H26N2O7S
  • Average mass522.570 Da
  • Monoisotopic mass522.146057 Da
  • ChemSpider ID4814313

  • 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-(2-éthoxybenzylidène)-7-méthyl-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, 5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-ethoxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(2-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(2-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Methyl-(2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(2-ethoxybenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD03417330
(E)-methyl 5-(4-acetoxy-3-methoxyphenyl)-2-(2-ethoxybenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
4-{2-[(2-ethoxyphenyl)methylene]-6-(methoxycarbonyl)-7-methyl-3-oxo(4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-5-yl)}-2-methoxyphenyl acetate
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-ethoxyphenyl)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: 630.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±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): 4.03
ACD/BCF (pH 5.5): 676.30
ACD/KOC (pH 5.5): 3693.30
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 676.30
ACD/KOC (pH 7.4): 3693.30
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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