methyl 2-anilino-5-[(4-fluorophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(4-fluorophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(4-fluorophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2422 |
| Compound Name: | methyl 2-anilino-5-[(4-fluorophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H14 F N O3 S |
| Smiles: | COC(C1=C(Nc2ccccc2)SC(=C/c2ccc(cc2)F)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2475 |
| logD: | 4.2359 |
| logSw: | -4.3496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.537 |
| InChI Key: | ZFXGOHGKSCGMGZ-UHFFFAOYSA-N |