ethyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-5973 |
| Compound Name: | ethyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C\c2ccc(cc2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7317 |
| logD: | 4.7076 |
| logSw: | -4.2641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.858 |
| InChI Key: | IQHKVJVEOBNNAH-QGOAFFKASA-N |