methyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V012-0077 |
| Compound Name: | methyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 387.38 |
| Molecular Formula: | C19 H14 F N O5 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(cc2)F)SC(=C\c2cccc(c2O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9465 |
| logD: | 3.5167 |
| logSw: | -3.6 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.565 |
| InChI Key: | QNJGAEQBZFPIEK-NTEUORMPSA-N |