ethyl 5-[(3,5-dihydroxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3,5-dihydroxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3,5-dihydroxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-5996 |
| Compound Name: | ethyl 5-[(3,5-dihydroxyphenyl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C\c2cc(cc(c2)O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3121 |
| logD: | 4.288 |
| logSw: | -4.1587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.475 |
| InChI Key: | NVTDBGAZFLQOTC-UHFFFAOYSA-N |