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 |