ethyl 2-(3,4-dimethoxyanilino)-5-[(3-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,4-dimethoxyanilino)-5-[(3-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,4-dimethoxyanilino)-5-[(3-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V028-3609 |
| Compound Name: | ethyl 2-(3,4-dimethoxyanilino)-5-[(3-fluoro-2-hydroxyphenyl)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(c(c2)OC)OC)SC(=C\c2cccc(c2O)F)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5221 |
| logD: | 4.0262 |
| logSw: | -4.2889 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.857 |
| InChI Key: | DALUOMNWOOSSQO-UHFFFAOYSA-N |