ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V012-0065 |
| Compound Name: | ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C\c2ccc(c(c2)O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2953 |
| logD: | 4.2801 |
| logSw: | -3.8772 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.213 |
| InChI Key: | GPBXZQAXGURDMH-GZTJUZNOSA-N |