{4-[(pyridin-4-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(pyridin-4-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(pyridin-4-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0471 |
| Compound Name: | {4-[(pyridin-4-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)Cc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7768 |
| logD: | 0.7523 |
| logSw: | -1.3787 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.833 |
| InChI Key: | RNWHFAKTVDWRPX-UHFFFAOYSA-N |