methyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9991 |
| Compound Name: | methyl 2-(4-ethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2ccc(cc2)O)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1594 |
| logD: | 4.1353 |
| logSw: | -4.1034 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.278 |
| InChI Key: | IRLDIMJIEGRXNY-UHFFFAOYSA-N |