N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethan-1-aminium--chloride (1/1)
Chemical Structure Depiction of
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethan-1-aminium--chloride (1/1)
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethan-1-aminium--chloride (1/1)
Compound characteristics
| Compound ID: | 8013-2992 |
| Compound Name: | N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethan-1-aminium--chloride (1/1) |
| Molecular Weight: | 502.99 |
| Molecular Formula: | C22 H26 F3 N4 O2 S |
| Salt: | Cl- |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC[N+](C)(C)CC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6896 |
| logD: | 3.6816 |
| logSw: | -4.09 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.485 |
| InChI Key: | XTKHSWCLJFBTJV-UHFFFAOYSA-O |