2-anilino-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--chloride (1/1)
Chemical Structure Depiction of
2-anilino-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--chloride (1/1)
2-anilino-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--chloride (1/1)
Compound characteristics
| Compound ID: | 8013-2990 |
| Compound Name: | 2-anilino-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--chloride (1/1) |
| Molecular Weight: | 434.99 |
| Molecular Formula: | C21 H27 N4 O2 S |
| Salt: | Cl- |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC[N+](C)(C)CC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4546 |
| logD: | 2.4546 |
| logSw: | -2.9104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.485 |
| InChI Key: | WLLFRYFNMHABRE-UHFFFAOYSA-O |