methyl 2-(4-fluoroanilino)-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-fluoroanilino)-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-fluoroanilino)-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-5863 |
| Compound Name: | methyl 2-(4-fluoroanilino)-5-[(4-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: | Cc1cc(\C=C2/C(C(=C(Nc3ccc(cc3)F)S2)C(=O)OC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.1674 |
| logD: | 3.7376 |
| logSw: | -3.997 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.085 |
| InChI Key: | HGJZMMBWDMNOLH-UHFFFAOYSA-N |