ethyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2445 |
| Compound Name: | ethyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C22 H20 Cl N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2ccc(c(c2)OCC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2777 |
| logD: | 4.8479 |
| logSw: | -5.7472 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.876 |
| InChI Key: | PTNJGHXBCQAHME-UHFFFAOYSA-N |