ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-2-(3,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-8240 |
| Compound Name: | ethyl 5-[(2,5-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\c2cc(ccc2O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7993 |
| logD: | 3.6113 |
| logSw: | -3.5948 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.543 |
| InChI Key: | PTUOQTUTINICBZ-UHFFFAOYSA-N |