ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V014-7810 |
| Compound Name: | ethyl 5-[(2,3-dihydroxyphenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C\c2cccc(c2O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4721 |
| logD: | 4.384 |
| logSw: | -3.8542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.688 |
| InChI Key: | NJHOQRAUHGYYNV-UHFFFAOYSA-N |