ethyl 5-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-8505 |
| Compound Name: | ethyl 5-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C21 H18 F N O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(C)c2)SC(=C\c2cccc(c2O)F)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3471 |
| logD: | 4.8512 |
| logSw: | -5.18 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.596 |
| InChI Key: | DNTCOZWVXPWKIL-UHFFFAOYSA-N |