{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 |