4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-3860 |
| Compound Name: | 4-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 374.36 |
| Molecular Formula: | C19 H14 N6 O3 |
| Smiles: | C1CN(CCN1c1cc(C#N)c(C#N)cc1[N+]([O-])=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4046 |
| logD: | 3.4045 |
| logSw: | -3.9336 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 90.997 |
| InChI Key: | XQBBDUYHSLXVHU-UHFFFAOYSA-N |