ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V011-1649 |
| Compound Name: | ethyl 5-[(2-hydroxy-3-methylphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 449.45 |
| Molecular Formula: | C22 H18 F3 N O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)C(F)(F)F)SC(=C\c2cccc(C)c2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4079 |
| logD: | 5.5122 |
| logSw: | -5.5814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.596 |
| InChI Key: | VLLHHQJSIHWCCH-UHFFFAOYSA-N |