1-(4-methylbenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-methylbenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
1-(4-methylbenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3701-0259 |
| Compound Name: | 1-(4-methylbenzene-1-sulfonyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 510.56 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)Cc1cc(c(c(c1)OC)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7745 |
| logD: | 1.8794 |
| logSw: | -3.137 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.468 |
| InChI Key: | WYVDZGCQYVFOQV-UHFFFAOYSA-N |