3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(2-methylbenzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(2-methylbenzene-1-sulfonyl)piperidine
3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(2-methylbenzene-1-sulfonyl)piperidine
Compound characteristics
| Compound ID: | T501-0704 |
| Compound Name: | 3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(2-methylbenzene-1-sulfonyl)piperidine |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | Cc1ccccc1S(N1CCCC(Cc2nncn2Cc2ccccc2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1339 |
| logD: | 3.1339 |
| logSw: | -3.278 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.944 |
| InChI Key: | DPSRXNPCBNHFJS-HXUWFJFHSA-N |