1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0876 |
| Compound Name: | 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 506.47 |
| Molecular Formula: | C20 H24 N4 O6 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2ccc(cc2)[N+]([O-])=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6205 |
| logD: | 2.1096 |
| logSw: | -2.8697 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.234 |
| InChI Key: | PPBNSTKWSXLJSN-UHFFFAOYSA-N |