ethyl 2-(3-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0002 |
| Compound Name: | ethyl 2-(3-chloroanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C20 H16 Cl N O4 S |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)[Cl])SC(=C\c2cccc(c2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2349 |
| logD: | 4.7518 |
| logSw: | -5.2063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.734 |
| InChI Key: | HTXYNAOEJOZRKO-UHFFFAOYSA-N |