ethyl 2-(3,4-dimethoxyanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,4-dimethoxyanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,4-dimethoxyanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V024-4032 |
| Compound Name: | ethyl 2-(3,4-dimethoxyanilino)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc(c(c2)O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8617 |
| logD: | 3.6738 |
| logSw: | -3.6032 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.557 |
| InChI Key: | JIZUJMVQXHMAIK-UHFFFAOYSA-N |