ethyl 2-(3-chloroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chloroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-chloroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-7102 |
| Compound Name: | ethyl 2-(3-chloroanilino)-5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 415.89 |
| Molecular Formula: | C21 H18 Cl N O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)[Cl])SC(=C\c2cccc(C)c2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1182 |
| logD: | 5.6352 |
| logSw: | -5.6772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.596 |
| InChI Key: | LSOOIHZGXSXXBA-UHFFFAOYSA-N |