{4-[(4-bromophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(4-bromophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1)
{4-[(4-bromophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0428 |
| Compound Name: | {4-[(4-bromophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 450.29 |
| Molecular Formula: | C17 H18 Br N3 O |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1ccc(cc1)[Br])C(c1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9596 |
| logD: | 1.9542 |
| logSw: | -1.6593 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.945 |
| InChI Key: | SMHJIGLENKMESU-UHFFFAOYSA-N |