ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3294 |
| Compound Name: | ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C19 H15 N3 O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2ccncc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7504 |
| logD: | 2.3694 |
| logSw: | -3.8348 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.927 |
| InChI Key: | WMYYRMBLFHAUOP-UHFFFAOYSA-N |