3-(2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}hydrazinylidene)-1-azabicyclo[2.2.2]octane
Chemical Structure Depiction of
3-(2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}hydrazinylidene)-1-azabicyclo[2.2.2]octane
3-(2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}hydrazinylidene)-1-azabicyclo[2.2.2]octane
Compound characteristics
| Compound ID: | 8013-8696 |
| Compound Name: | 3-(2-{5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}hydrazinylidene)-1-azabicyclo[2.2.2]octane |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C18 H26 N6 O4 S |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)N/N=C1CN2CCC\1CC2)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9052 |
| logD: | 1.8979 |
| logSw: | -2.7475 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.087 |
| InChI Key: | DTSYBKBXXLCFGP-UHFFFAOYSA-N |