4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-nitrobenzene-1,2-dicarbonitrile
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-4837 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C20 H17 N5 O4 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6495 |
| logD: | 2.0503 |
| logSw: | -3.2038 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.239 |
| InChI Key: | IJDBFBUTFHHDRX-UHFFFAOYSA-N |