4-[4-(2-cyanoethyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(2-cyanoethyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4873 |
| Compound Name: | 4-[4-(2-cyanoethyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 310.31 |
| Molecular Formula: | C15 H14 N6 O2 |
| Smiles: | C(CN1CCN(CC1)c1cc(C#N)c(C#N)cc1[N+]([O-])=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.937 |
| logD: | 0.9355 |
| logSw: | -1.8509 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 91.865 |
| InChI Key: | CXETXMHYIZEKBF-UHFFFAOYSA-N |