1-{4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1)
1-{4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0427 |
| Compound Name: | 1-{4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}-3-methylbutan-1-one--oxalic acid (1/1) |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C18 H27 N3 O5 |
| Salt: | HOOCCOOH |
| Smiles: | CC(C)CC(N1CCN(CC1)Cc1cc(c(cc1[N+]([O-])=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1308 |
| logD: | 2.0088 |
| logSw: | -2.4333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.513 |
| InChI Key: | RHXFUYWIBURVLY-UHFFFAOYSA-N |