2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile
Chemical Structure Depiction of
2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile
2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | R052-1563 |
| Compound Name: | 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitrobenzonitrile |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1C#N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4833 |
| logD: | 3.4832 |
| logSw: | -3.9163 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.632 |
| InChI Key: | SKAJBVPTUXUHOM-UHFFFAOYSA-N |