2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile
Chemical Structure Depiction of
2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile
2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | R052-1562 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-5-nitrobenzonitrile |
| Molecular Weight: | 246.27 |
| Molecular Formula: | C12 H14 N4 O2 |
| Smiles: | CN1CCN(CC1)c1ccc(cc1C#N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5621 |
| logD: | 1.2927 |
| logSw: | -2.2373 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.304 |
| InChI Key: | LFOKDMGRKXOPEC-UHFFFAOYSA-N |