{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0375 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 504.49 |
| Molecular Formula: | C22 H26 N2 O6 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0045 |
| logD: | 1.8129 |
| logSw: | -2.7013 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.521 |
| InChI Key: | IIPBLFNQEXNBDV-UHFFFAOYSA-N |