ChemSpider 2D Image | Ethyl 5-[4-(allyloxy)-3-ethoxyphenyl]-2-[4-(cyanomethoxy)-3-ethoxybenzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C32H33N3O7S

Ethyl 5-[4-(allyloxy)-3-ethoxyphenyl]-2-[4-(cyanomethoxy)-3-ethoxybenzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC32H33N3O7S
  • Average mass603.685 Da
  • Monoisotopic mass603.203918 Da
  • ChemSpider ID3387189

More details:

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

5-[4-(Allyloxy)-3-éthoxyphényl]-2-[4-(cyanométhoxy)-3-éthoxybenzylidène]-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, 2-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylene]-5-[3-ethoxy-4-(2-propen-1-yloxy)phenyl]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-[4-(allyloxy)-3-ethoxyphenyl]-2-[4-(cyanomethoxy)-3-ethoxybenzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-5-[4-(allyloxy)-3-ethoxyphenyl]-2-[4-(cyanmethoxy)-3-ethoxybenzyliden]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 734.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±35.7 °C
Index of Refraction: 1.597
Molar Refractivity: 164.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1079.64
ACD/KOC (pH 5.5): 5162.03
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1079.64
ACD/KOC (pH 7.4): 5162.03
Polar Surface Area: 145 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 482.1±7.0 cm3

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