ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3284 |
| Compound Name: | ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 386.85 |
| Molecular Formula: | C19 H15 Cl N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C/c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3974 |
| logD: | 3.9105 |
| logSw: | -4.5292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.66 |
| InChI Key: | XXGDVPLIRCFOBC-UHFFFAOYSA-N |