ethyl 2-(4-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-0916 |
| Compound Name: | ethyl 2-(4-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C20 H18 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.785 |
| logD: | 3.7558 |
| logSw: | -3.9848 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.204 |
| InChI Key: | CGFXMMCOJYMAPT-UHFFFAOYSA-N |