ethyl 2-(2-chloroanilino)-5-[(3-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-chloroanilino)-5-[(3-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2-chloroanilino)-5-[(3-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9254 |
| Compound Name: | ethyl 2-(2-chloroanilino)-5-[(3-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 419.86 |
| Molecular Formula: | C20 H15 Cl F N O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccccc2[Cl])SC(=C\c2cccc(c2O)F)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2973 |
| logD: | 4.8015 |
| logSw: | -5.3197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.898 |
| InChI Key: | GBLARIPUNCLTRW-XNTDXEJSSA-N |