ethyl 2-anilino-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-8493 |
| Compound Name: | ethyl 2-anilino-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C\c2cc(c(c(c2)OC)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0953 |
| logD: | 4.0838 |
| logSw: | -3.9074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.013 |
| InChI Key: | BAOPUIZFEXKBPR-UHFFFAOYSA-N |