ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V011-1684 |
| Compound Name: | ethyl 5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 495.47 |
| Molecular Formula: | C23 H20 F3 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)C(F)(F)F)SC(=C\c2cc(c(c(c2)OC)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3303 |
| logD: | 4.4346 |
| logSw: | -5.2659 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.013 |
| InChI Key: | IBBPNQBEHBFASV-UHFFFAOYSA-N |