{4-[(3-bromophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-bromophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(3-bromophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0482 |
| Compound Name: | {4-[(3-bromophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 494.3 |
| Molecular Formula: | C18 H18 Br N3 O3 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[Br])C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0549 |
| logD: | 3.0395 |
| logSw: | -3.3606 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.809 |
| InChI Key: | FQOQTBGGHBCPAT-UHFFFAOYSA-N |