1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0891 |
| Compound Name: | 1-[(2-bromophenyl)methyl]-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 540.37 |
| Molecular Formula: | C20 H24 Br N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2ccccc2[Br])c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4516 |
| logD: | 2.9407 |
| logSw: | -3.6904 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.853 |
| InChI Key: | XRJFHGAEGJNNNE-UHFFFAOYSA-N |