1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0664 |
| Compound Name: | 1-[(3-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 491.5 |
| Molecular Formula: | C21 H27 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)Cc2cccc(c2)[N+]([O-])=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4668 |
| logD: | 0.0959 |
| logSw: | -2.6666 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.871 |
| InChI Key: | XWGAPSJYZPUOBD-UHFFFAOYSA-N |