ethyl 2-anilino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3947-1833 |
| Compound Name: | ethyl 2-anilino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc(c(c2)O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1351 |
| logD: | 4.1235 |
| logSw: | -3.9308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.296 |
| InChI Key: | JPQILKKBPBXRTK-UHFFFAOYSA-N |