ChemSpider 2D Image | MFCD01162903 | C26H23ClN2O6S

MFCD01162903

  • Molecular FormulaC26H23ClN2O6S
  • Average mass526.989 Da
  • Monoisotopic mass526.096558 Da
  • ChemSpider ID12233860

  • 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-chlorobenzylidène)-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)-3-methoxyphenyl]-2-[(2-chlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(2-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
ETHYL (2E)-5-[4-(ACETYLOXY)-3-METHOXYPHENYL]-2-(2-CHLOROBENZYLIDENE)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
Ethyl-(2E)-5-(4-acetoxy-3-methoxyphenyl)-2-(2-chlorbenzyliden)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD01162903
(E)-ethyl 5-(4-acetoxy-3-methoxyphenyl)-2-(2-chlorobenzylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
312936-82-6 [RN]
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[(2-chlorophenyl)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: 1.4±0.1 g/cm3
Boiling Point: 626.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2124.17
ACD/KOC (pH 5.5): 8379.13
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2124.17
ACD/KOC (pH 7.4): 8379.13
Polar Surface Area: 120 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 383.7±7.0 cm3

Click to predict properties on the Chemicalize site


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