(4-benzylpiperazin-1-yl){4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(4-benzylpiperazin-1-yl){4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone--hydrogen chloride (1/1)
(4-benzylpiperazin-1-yl){4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 6228-1267 |
| Compound Name: | (4-benzylpiperazin-1-yl){4-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 441.92 |
| Molecular Formula: | C22 H23 N5 O3 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc(Cn2ccc(n2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8066 |
| logD: | 1.7912 |
| logSw: | -2.0509 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.661 |
| InChI Key: | MZGXDQUNEIZAOD-UHFFFAOYSA-N |