methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9992 |
| Compound Name: | methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2ccc(cc2O)OC)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6874 |
| logD: | 4.6634 |
| logSw: | -4.1702 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.753 |
| InChI Key: | SCCQLOJQCVVSER-UHFFFAOYSA-N |