methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-5465 |
| Compound Name: | methyl 2-(4-fluoroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 385.41 |
| Molecular Formula: | C20 H16 F N O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(\C=C2/C(C(=C(Nc3ccc(cc3)F)S2)C(=O)OC)=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.8214 |
| logD: | 4.3917 |
| logSw: | -4.4346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.016 |
| InChI Key: | VAIAUTXAYIUMTG-UHFFFAOYSA-N |