methyl 4-oxo-2-[4-(trifluoromethyl)anilino]-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-[4-(trifluoromethyl)anilino]-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 4-oxo-2-[4-(trifluoromethyl)anilino]-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V007-6540 |
| Compound Name: | methyl 4-oxo-2-[4-(trifluoromethyl)anilino]-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 495.47 |
| Molecular Formula: | C23 H20 F3 N O6 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2)C(F)(F)F)SC(=C\c2ccc(c(c2OC)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2529 |
| logD: | 5.2377 |
| logSw: | -5.2552 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.602 |
| InChI Key: | QKMOWSBTSVTVOB-UHFFFAOYSA-N |