ethyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6008 |
| Compound Name: | ethyl 2-(4-ethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C23 H23 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C\c2cc(C)ccc2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5661 |
| logD: | 5.5421 |
| logSw: | -5.1669 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.789 |
| InChI Key: | UCOBGCPCAIRNIC-UHFFFAOYSA-N |