ethyl 2-(4-fluoroanilino)-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-fluoroanilino)-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-fluoroanilino)-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-5606 |
| Compound Name: | ethyl 2-(4-fluoroanilino)-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C21 H18 F N O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)F)SC(=C\c2ccc(c(C)c2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7397 |
| logD: | 4.3099 |
| logSw: | -4.217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.665 |
| InChI Key: | XPLFEODYKDMMJM-UHFFFAOYSA-N |