ethyl 2-(3-fluoroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-fluoroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-fluoroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-0035 |
| Compound Name: | ethyl 2-(3-fluoroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C21 H18 F N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)F)SC(=C\c2ccc(c(c2)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3176 |
| logD: | 3.8345 |
| logSw: | -4.0365 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.296 |
| InChI Key: | JEAXIERSOXNNEK-UHFFFAOYSA-N |