{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0480 |
| Compound Name: | {4-[(4-methoxyphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C19 H21 N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3263 |
| logD: | 2.3178 |
| logSw: | -2.5094 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.353 |
| InChI Key: | JPQIOJOHCXMWRX-UHFFFAOYSA-N |