methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V012-0032 |
| Compound Name: | methyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Salt: | not_available |
| Smiles: | CCc1ccccc1NC1=C(C(/C(=C\c2ccc(c(c2)O)O)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0586 |
| logD: | 4.0514 |
| logSw: | -3.6947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.936 |
| InChI Key: | ZNKCFOQNFDTQBV-UHFFFAOYSA-N |