(2,6-dimethoxyphenyl){4-[(2-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(2,6-dimethoxyphenyl){4-[(2-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
(2,6-dimethoxyphenyl){4-[(2-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0388 |
| Compound Name: | (2,6-dimethoxyphenyl){4-[(2-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1) |
| Molecular Weight: | 475.45 |
| Molecular Formula: | C20 H23 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(c1C(N1CCN(CC1)Cc1ccccc1[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9955 |
| logD: | 1.9913 |
| logSw: | -2.2402 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.769 |
| InChI Key: | PBBBQHMBFRMCQW-UHFFFAOYSA-N |