ethyl 2-(3-chloroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chloroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-chloroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5492-3863 |
| Compound Name: | ethyl 2-(3-chloroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 386.85 |
| Molecular Formula: | C19 H15 Cl N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)[Cl])SC(=C/c2ccncc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5783 |
| logD: | 4.0952 |
| logSw: | -4.6087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.545 |
| InChI Key: | AUPHQWPUONSLLB-UHFFFAOYSA-N |