N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-phenylethan-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-phenylethan-1-aminium--bromide (1/1)
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-phenylethan-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 8013-0418 |
| Compound Name: | N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxo-2-phenylethan-1-aminium--bromide (1/1) |
| Molecular Weight: | 464.42 |
| Molecular Formula: | C21 H26 N3 O2 S |
| Salt: | Br- |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC[N+](C)(C)CC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4413 |
| logD: | 2.4413 |
| logSw: | -2.7488 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.583 |
| InChI Key: | JGLMJAXOLHVGCA-UHFFFAOYSA-N |