1-(2-methylbenzene-1-sulfonyl)-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
Chemical Structure Depiction of
1-(2-methylbenzene-1-sulfonyl)-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
1-(2-methylbenzene-1-sulfonyl)-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
Compound characteristics
| Compound ID: | S517-0336 |
| Compound Name: | 1-(2-methylbenzene-1-sulfonyl)-4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1ccccc1S(N1CCC(CC1)Cc1nncn1c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3548 |
| logD: | 3.3548 |
| logSw: | -3.5456 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.469 |
| InChI Key: | QJTFVOANQGOKIJ-UHFFFAOYSA-N |