N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-(3-methylanilino)-2-oxoethan-1-aminium
Chemical Structure Depiction of
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-(3-methylanilino)-2-oxoethan-1-aminium
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-(3-methylanilino)-2-oxoethan-1-aminium
Compound characteristics
| Compound ID: | 8013-2991 |
| Compound Name: | N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-(3-methylanilino)-2-oxoethan-1-aminium |
| Molecular Weight: | 449.01 |
| Molecular Formula: | C22 H29 N4 O2 S |
| Salt: | Cl- |
| Smiles: | Cc1cccc(c1)NC(C[N+](C)(C)CCSc1c(C#N)c(COC)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0063 |
| logD: | 3.0063 |
| logSw: | -3.0897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.485 |
| InChI Key: | BTLMATVPJQDJHB-UHFFFAOYSA-O |