ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-8527 |
| Compound Name: | ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-(3-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(Nc2cccc(C)c2)SC(=C\c2cc(c(c(c2)OC)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.647 |
| logD: | 4.6394 |
| logSw: | -4.1569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.013 |
| InChI Key: | NBIKVGKVFKIWNP-UHFFFAOYSA-N |