methyl 5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9949 |
| Compound Name: | methyl 5-[(2-hydroxy-4-methylphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 435.42 |
| Molecular Formula: | C21 H16 F3 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(\C=C2/C(C(=C(Nc3ccc(cc3)C(F)(F)F)S2)C(=O)OC)=O)c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 5.5624 |
| logD: | 5.5366 |
| logSw: | -5.2475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.085 |
| InChI Key: | ZSZDIWQVTRKDPC-UHFFFAOYSA-N |