ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0187 |
| Compound Name: | ethyl 2-(4-nitroanilino)-4-oxo-5-[(pyridin-3-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/c2cccnc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7481 |
| logD: | 2.367 |
| logSw: | -3.6836 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.017 |
| InChI Key: | VSESRUQHJCSXPN-UHFFFAOYSA-N |