HuagongsheHuagongshe Chemistry Print Report · For research reference only
ethyl 2-[(2,5-dimethoxyphenyl)methylidene]-5-(2-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-(2,5-dimethoxybenzylidene)-5-(2-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
![ethyl 2-[(2,5-dimethoxyphenyl)methylidene]-5-(2-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate molecular structure](/img/chemical/178696159.png)
Identifiers & Physical Properties
| CAS No. | 342592-29-4 |
|---|---|
| Molecular formula | C27H28N2O6S |
| Average molar mass | 508.6 g/mol |
| Monoisotopic mass | 508.16680779 g/mol |
| SMILES | CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2C1c1ccccc1OCC |
| InChIKey | WRAFILZIMLFCKH-UHFFFAOYSA-N |
| PubChem CID | 3463552 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 9 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 931 |
| Boiling point | 638.433±65.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.275±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | -4.210±0.70(predicted) |