{4-[(3-nitrophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-nitrophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1)
{4-[(3-nitrophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0264 |
| Compound Name: | {4-[(3-nitrophenyl)methyl]piperazin-1-yl}(pyridin-3-yl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C17 H18 N4 O3 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[N+]([O-])=O)C(c1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9878 |
| logD: | 0.9857 |
| logSw: | -1.3414 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.326 |
| InChI Key: | BQKLCQPWIQPKKW-UHFFFAOYSA-N |