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 | 
 
				 
				