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

Ethyl 2-(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-5-(4-methoxyphenyl)-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 ID3524311

More details:

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

2-(3-Éthoxy-4-{2-[2-(4-méthylphénoxy)éthoxy]éthoxy}benzylidène)-5-(4-méthoxyphényl)-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-[[3-ethoxy-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzyliden)-5-(4-methoxyphenyl)-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: 1.2±0.1 g/cm3
Boiling Point: 787.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.3±35.7 °C
Index of Refraction: 1.593
Molar Refractivity: 184.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35308.30
ACD/KOC (pH 5.5): 62654.70
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35308.30
ACD/KOC (pH 7.4): 62654.70
Polar Surface Area: 130 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 543.4±7.0 cm3

Click to predict properties on the Chemicalize site


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