4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(3-methoxybenzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(3-methoxybenzene-1-sulfonyl)piperidine
4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(3-methoxybenzene-1-sulfonyl)piperidine
Compound characteristics
| Compound ID: | S517-1012 |
| Compound Name: | 4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(3-methoxybenzene-1-sulfonyl)piperidine |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | COc1cccc(c1)S(N1CCC(CC1)Cc1nncn1Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.233 |
| logD: | 3.2329 |
| logSw: | -3.5718 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.554 |
| InChI Key: | IMILDVABAMHXGE-UHFFFAOYSA-N |