ethyl 2-(2-fluoroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-fluoroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2-fluoroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-0855 |
| Compound Name: | ethyl 2-(2-fluoroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 370.4 |
| Molecular Formula: | C19 H15 F N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccccc2F)SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8422 |
| logD: | 3.294 |
| logSw: | -3.8819 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.962 |
| InChI Key: | QXBARTPQUCGLKZ-UHFFFAOYSA-N |