1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0588 |
| Compound Name: | 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C20 H25 N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(c(CN2CCN(CC2)Cc2ccc(cc2)[N+]([O-])=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9538 |
| logD: | 1.7198 |
| logSw: | -3.2496 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.067 |
| InChI Key: | KJJAGWYTCOJMBK-UHFFFAOYSA-N |