{4-[(3-bromophenyl)methyl]piperazin-1-yl}(pyridin-4-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-bromophenyl)methyl]piperazin-1-yl}(pyridin-4-yl)methanone--oxalic acid (1/1)
{4-[(3-bromophenyl)methyl]piperazin-1-yl}(pyridin-4-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0425 |
| Compound Name: | {4-[(3-bromophenyl)methyl]piperazin-1-yl}(pyridin-4-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 450.29 |
| Molecular Formula: | C17 H18 Br N3 O |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[Br])C(c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8802 |
| logD: | 1.8647 |
| logSw: | -1.8835 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.8554 |
| InChI Key: | UXEKBCSPEAQRDB-UHFFFAOYSA-N |