ethyl 5-{[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-1272 |
| Compound Name: | ethyl 5-{[3-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C26 H27 N O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C/c2ccc(c(c2)OCC)OCC(=O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.526 |
| logD: | 4.5108 |
| logSw: | -4.3574 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.492 |
| InChI Key: | JUDRGDMZAVUJFL-UHFFFAOYSA-N |