4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(2-methylbenzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(2-methylbenzene-1-sulfonyl)piperidine
4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(2-methylbenzene-1-sulfonyl)piperidine
Compound characteristics
| Compound ID: | S517-1014 |
| Compound Name: | 4-[(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(N1CCC(CC1)Cc1nncn1Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3799 |
| logD: | 3.3798 |
| logSw: | -3.5674 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.01 |
| InChI Key: | ZPEZIWIYTMNMJF-UHFFFAOYSA-N |