ethyl 5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2925 |
| Compound Name: | ethyl 5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C\c2cccc(c2O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.769 |
| logD: | 4.6851 |
| logSw: | -4.3769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.771 |
| InChI Key: | JTCPNTHBBJVESA-UHFFFAOYSA-N |