{4-[(pyridin-3-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(pyridin-3-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(pyridin-3-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0376 |
| Compound Name: | {4-[(pyridin-3-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C20 H25 N3 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)Cc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8201 |
| logD: | 0.8166 |
| logSw: | -0.9924 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.923 |
| InChI Key: | ZCLHEJUBDDDMKC-UHFFFAOYSA-N |