2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N,N-dimethyl-N-[(4-nitrophenyl)methyl]ethan-1-aminium--bromide (1/1)
Chemical Structure Depiction of
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N,N-dimethyl-N-[(4-nitrophenyl)methyl]ethan-1-aminium--bromide (1/1)
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N,N-dimethyl-N-[(4-nitrophenyl)methyl]ethan-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 8013-2989 |
| Compound Name: | 2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N,N-dimethyl-N-[(4-nitrophenyl)methyl]ethan-1-aminium--bromide (1/1) |
| Molecular Weight: | 481.41 |
| Molecular Formula: | C20 H25 N4 O3 S |
| Salt: | Br- |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC[N+](C)(C)Cc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9848 |
| logD: | 2.9848 |
| logSw: | -3.1557 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.717 |
| InChI Key: | UIMMSSVDHIMBNY-UHFFFAOYSA-N |