1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-methylbutan-1-one
1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | 8013-8661 |
| Compound Name: | 1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CC(C)CC(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8409 |
| logD: | 3.8409 |
| logSw: | -4.0705 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.508 |
| InChI Key: | GUKUHGYUWAYQMY-UHFFFAOYSA-N |