3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(3-methoxybenzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(3-methoxybenzene-1-sulfonyl)piperidine
3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-(3-methoxybenzene-1-sulfonyl)piperidine
Compound characteristics
| Compound ID: | T501-0691 |
| Compound Name: | 3-[(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(N1CCCC(Cc2nncn2Cc2ccccc2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.987 |
| logD: | 2.987 |
| logSw: | -3.4656 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.488 |
| InChI Key: | LSYXMJYYZVELGH-LJQANCHMSA-N |