1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y509-0317 |
| Compound Name: | 1-[(2,4-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C20 H25 N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)Cc2cccc(c2)[N+]([O-])=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9098 |
| logD: | 2.7905 |
| logSw: | -3.2257 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.067 |
| InChI Key: | ZIIRSDSRNJEPIV-UHFFFAOYSA-N |