1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0449 |
| Compound Name: | 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C20 H26 N2 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)Cc1cccc(c1OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1388 |
| logD: | 2.9706 |
| logSw: | -3.2368 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.837 |
| InChI Key: | KIJXESRLBHIXIG-UHFFFAOYSA-N |