1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4262-0028 |
| Compound Name: | 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C20 H25 N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)Cc2ccccc2[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5304 |
| logD: | 1.5591 |
| logSw: | -2.544 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.853 |
| InChI Key: | LRQSBCVLDRWODQ-UHFFFAOYSA-N |