ethyl 2-(4-fluoroanilino)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-fluoroanilino)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-fluoroanilino)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-8506 |
| Compound Name: | ethyl 2-(4-fluoroanilino)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C22 H20 F N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)F)SC(=C\c2cc(c(c(c2)OC)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3161 |
| logD: | 3.8864 |
| logSw: | -4.0441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.013 |
| InChI Key: | XWGJXHTZDRJUOB-UHFFFAOYSA-N |