methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V023-0016 |
| Compound Name: | methyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2ccc(C)cc2O)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0586 |
| logD: | 5.0328 |
| logSw: | -4.3222 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.209 |
| InChI Key: | LNQJRHQJIVUAGC-UHFFFAOYSA-N |