4-[4-(methanesulfonyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[4-(methanesulfonyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(methanesulfonyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-3858 |
| Compound Name: | 4-[4-(methanesulfonyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 335.34 |
| Molecular Formula: | C13 H13 N5 O4 S |
| Smiles: | CS(N1CCN(CC1)c1cc(C#N)c(C#N)cc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8398 |
| logD: | 0.8398 |
| logSw: | -2.0358 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 101.866 |
| InChI Key: | RHHOZIQDJGONFZ-UHFFFAOYSA-N |