1-(4-methylbenzene-1-sulfonyl)-4-[(pyridin-2-yl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-methylbenzene-1-sulfonyl)-4-[(pyridin-2-yl)methyl]piperazine--oxalic acid (1/1)
1-(4-methylbenzene-1-sulfonyl)-4-[(pyridin-2-yl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0354 |
| Compound Name: | 1-(4-methylbenzene-1-sulfonyl)-4-[(pyridin-2-yl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)Cc1ccccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9809 |
| logD: | 1.9665 |
| logSw: | -2.4316 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.033 |
| InChI Key: | YTZOVERPLNRHKY-UHFFFAOYSA-N |