methyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
methyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-9765 |
| Compound Name: | methyl 5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C22 H19 F3 N2 O3 S |
| Salt: | not_available |
| Smiles: | CN(C)c1ccc(\C=C2/C(C(=C(Nc3ccc(cc3)C(F)(F)F)S2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3729 |
| logD: | 5.3576 |
| logSw: | -5.5981 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.342 |
| InChI Key: | LMLYFPNOMFAPBR-UHFFFAOYSA-N |