ChemSpider 2D Image | 2-Methoxyethyl (2E)-5-(2-ethoxy-3-methoxyphenyl)-2-{3-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C37H40N2O8S

2-Methoxyethyl (2E)-5-(2-ethoxy-3-methoxyphenyl)-2-{3-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC37H40N2O8S
  • Average mass672.787 Da
  • Monoisotopic mass672.250549 Da
  • ChemSpider ID79542103

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(2-Éthoxy-3-méthoxyphényl)-2-{3-éthoxy-4-[(3-méthylbenzyl)oxy]benzylidène}-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
2-Methoxyethyl (2E)-5-(2-ethoxy-3-methoxyphenyl)-2-{3-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-(2E)-5-(2-ethoxy-3-methoxyphenyl)-2-{3-ethoxy-4-[(3-methylbenzyl)oxy]benzyliden}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(2-ethoxy-3-methoxyphenyl)-2-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylene]-2,3-dihydro-7-methyl-3-oxo-, 2-methoxyethyl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.3±35.7 °C
Index of Refraction: 1.594
Molar Refractivity: 184.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12771.42
ACD/KOC (pH 5.5): 30257.60
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12771.42
ACD/KOC (pH 7.4): 30257.60
Polar Surface Area: 130 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 542.5±7.0 cm3

Click to predict properties on the Chemicalize site


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