methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-7238 |
| Compound Name: | methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 451.42 |
| Molecular Formula: | C21 H16 F3 N O5 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(cc2)C(F)(F)F)SC(=C\c2ccc(c(c2)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4646 |
| logD: | 4.4494 |
| logSw: | -4.1585 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.716 |
| InChI Key: | WVHLRFRTBFGAFP-MHWRWJLKSA-N |