ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-9993 |
| Compound Name: | ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C23 H20 F3 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)C(F)(F)F)SC(=C\c2ccc(c(c2)OCC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5557 |
| logD: | 5.5405 |
| logSw: | -5.3468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.876 |
| InChI Key: | CGDCTADPSSOQFG-UHFFFAOYSA-N |