8-({5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline
Chemical Structure Depiction of
8-({5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline
8-({5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline
Compound characteristics
| Compound ID: | 4169-2549 |
| Compound Name: | 8-({5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C20 H20 N4 O4 S2 |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)Sc1cccc2cccnc12)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1136 |
| logD: | 3.1111 |
| logSw: | -3.4075 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.316 |
| InChI Key: | SRKZIYSEAQIBBT-UHFFFAOYSA-N |