ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V014-7812 |
| Compound Name: | ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 443.47 |
| Molecular Formula: | C22 H21 N O7 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2cccc(c2O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0246 |
| logD: | 3.8366 |
| logSw: | -3.6636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.405 |
| InChI Key: | SDZQZVWOADIGBD-UHFFFAOYSA-N |