1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3701-0447 |
| Compound Name: | 1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C20 H25 N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(CN2CCN(CC2)Cc2ccccc2[N+]([O-])=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9831 |
| logD: | 1.7491 |
| logSw: | -3.2818 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.939 |
| InChI Key: | VYAXFJDEBDZTHP-UHFFFAOYSA-N |