ethyl 4-oxo-5-[(pyridin-2-yl)methylidene]-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-oxo-5-[(pyridin-2-yl)methylidene]-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 4-oxo-5-[(pyridin-2-yl)methylidene]-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2908 |
| Compound Name: | ethyl 4-oxo-5-[(pyridin-2-yl)methylidene]-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 420.41 |
| Molecular Formula: | C20 H15 F3 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)C(F)(F)F)SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8459 |
| logD: | 3.8727 |
| logSw: | -4.5667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.66 |
| InChI Key: | XYSATPIYOHTRMZ-UHFFFAOYSA-N |