1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol--hydrogen chloride (1/1)
1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2023-0169 |
| Compound Name: | 1-butoxy-3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-2-ol--hydrogen chloride (1/1) |
| Molecular Weight: | 408.32 |
| Molecular Formula: | C17 H26 Cl N3 O4 |
| Salt: | HCl |
| Smiles: | CCCCOCC(CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0015 |
| logD: | 2.9509 |
| logSw: | -3.1187 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.255 |
| InChI Key: | FDXAGIZWXPMQSZ-HNNXBMFYSA-N |