methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-5886 |
| Compound Name: | methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C20 H16 F N O5 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(cc2)F)SC(=C\c2cc(ccc2O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3031 |
| logD: | 3.8733 |
| logSw: | -4.1271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.629 |
| InChI Key: | PGGFGNGICBDWLW-UHFFFAOYSA-N |