(3,5-dimethoxyphenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Chemical Structure Depiction of
(3,5-dimethoxyphenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
(3,5-dimethoxyphenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3701-0279 |
| Compound Name: | (3,5-dimethoxyphenyl){4-[(3-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1) |
| Molecular Weight: | 475.45 |
| Molecular Formula: | C20 H23 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1)OC)C(N1CCN(CC1)Cc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4801 |
| logD: | 2.478 |
| logSw: | -2.6376 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.896 |
| InChI Key: | CLGZHGZJSBRJOI-UHFFFAOYSA-N |