1-[(2-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(2-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0555 |
| Compound Name: | 1-[(2-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 480.31 |
| Molecular Formula: | C18 H20 Br N3 O2 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[N+]([O-])=O)Cc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5623 |
| logD: | 3.4875 |
| logSw: | -3.5607 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.893 |
| InChI Key: | JNHBXCCBHXJGLL-UHFFFAOYSA-N |