ethyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-7093 |
| Compound Name: | ethyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxyphenyl)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(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc(cc2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8976 |
| logD: | 3.7096 |
| logSw: | -4.0149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.995 |
| InChI Key: | KINZJLAZCBLZRN-UHFFFAOYSA-N |