2-(4-bromophenyl)-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--bromide (1/1)
Chemical Structure Depiction of
2-(4-bromophenyl)-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--bromide (1/1)
2-(4-bromophenyl)-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 8013-2993 |
| Compound Name: | 2-(4-bromophenyl)-N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-oxoethan-1-aminium--bromide (1/1) |
| Molecular Weight: | 543.32 |
| Molecular Formula: | C21 H25 Br N3 O2 S |
| Salt: | Br- |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC[N+](C)(C)CC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3803 |
| logD: | 3.3803 |
| logSw: | -3.6752 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.583 |
| InChI Key: | OGPABCNRAOITBR-UHFFFAOYSA-N |