ethyl 5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V004-5042 |
| Compound Name: | ethyl 5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C20 H17 F3 N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)C(F)(F)F)SC(=C\c2cccn2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.626 |
| logD: | 4.71 |
| logSw: | -5.4776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.015 |
| InChI Key: | ANIPZKWBUUNSNI-UHFFFAOYSA-N |