ethyl 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3132 |
| Compound Name: | ethyl 5-[(3-chloro-4-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 457.93 |
| Molecular Formula: | C23 H20 Cl N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2ccc(c(c2)[Cl])OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1249 |
| logD: | 2.169 |
| logSw: | -5.7538 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.926 |
| InChI Key: | SWAMQLMOVOBGLY-UHFFFAOYSA-N |