ethyl 2-(2-chloroanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-chloroanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2-chloroanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2933 |
| Compound Name: | ethyl 2-(2-chloroanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccccc2[Cl])SC(=C\c2ccc(c(c2)O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.637 |
| logD: | 4.1498 |
| logSw: | -4.5698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.598 |
| InChI Key: | JPADJAHPYNVYBQ-UHFFFAOYSA-N |