ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V014-8958 |
| Compound Name: | ethyl 5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 451.42 |
| Molecular Formula: | C21 H16 F3 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)C(F)(F)F)SC(=C\c2ccc(c(c2)O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9152 |
| logD: | 4.0195 |
| logSw: | -4.2749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.213 |
| InChI Key: | KJQKGIHLEUUKSG-UHFFFAOYSA-N |