ethyl 5-[(2-chlorophenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-chlorophenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2-chlorophenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3311 |
| Compound Name: | ethyl 5-[(2-chlorophenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 403.86 |
| Molecular Formula: | C20 H15 Cl F N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)F)SC(=C/c2ccccc2[Cl])\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6059 |
| logD: | 5.1762 |
| logSw: | -5.8263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | CEMJCHYYKZPYOZ-UHFFFAOYSA-N |