{4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0387 |
| Compound Name: | {4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 565.53 |
| Molecular Formula: | C23 H29 N3 O8 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)C(c2cc(c(c(c2)OC)OC)OC)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8848 |
| logD: | 1.8246 |
| logSw: | -2.4039 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.746 |
| InChI Key: | GCIKOMZQLGRJDH-UHFFFAOYSA-N |