ethyl 5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3209 |
| Compound Name: | ethyl 5-{[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 481.52 |
| Molecular Formula: | C25 H23 N O7 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2ccc(cc2)OCC(=O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9345 |
| logD: | 0.9787 |
| logSw: | -3.9689 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.374 |
| InChI Key: | XBYKCSBFCKXHAL-UHFFFAOYSA-N |