ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2861 |
| Compound Name: | ethyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 462.49 |
| Molecular Formula: | C23 H21 F3 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)C(F)(F)F)SC(=C\c2ccc(cc2)N(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1157 |
| logD: | 5.22 |
| logSw: | -5.6103 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.922 |
| InChI Key: | LSNRWDMXEMRMMQ-UHFFFAOYSA-N |