ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-0475 |
| Compound Name: | ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H23 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C\c2cc(c(c(c2)OC)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7105 |
| logD: | 4.6952 |
| logSw: | -4.1355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.013 |
| InChI Key: | TXJKOXGENNSCNP-UHFFFAOYSA-N |