1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-2788 |
| Compound Name: | 1-(benzenesulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1cc(CN2CCN(CC2)S(c2ccccc2)(=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.166 |
| logD: | 1.271 |
| logSw: | -2.748 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.47 |
| InChI Key: | GDIGEKKQCIDEQS-UHFFFAOYSA-N |