ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,5-dihydroxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-5653 |
| Compound Name: | ethyl 5-[(2,5-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\c2cc(ccc2O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3076 |
| logD: | 4.4119 |
| logSw: | -5.136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.282 |
| InChI Key: | LMGDGQKBBDNHTC-UHFFFAOYSA-N |