ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-4619 |
| Compound Name: | ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Salt: | not_available |
| Smiles: | CCc1ccccc1NC1=C(C(/C(=C\c2cc(ccc2O)O)S1)=O)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.0234 |
| logD: | 5.0056 |
| logSw: | -4.1696 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.585 |
| InChI Key: | MZBKOWCSDKPOIG-UHFFFAOYSA-N |