5-[1-(benzenesulfonyl)piperidin-4-yl]-4-(1-benzyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(benzenesulfonyl)piperidin-4-yl]-4-(1-benzyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
5-[1-(benzenesulfonyl)piperidin-4-yl]-4-(1-benzyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9816 |
| Compound Name: | 5-[1-(benzenesulfonyl)piperidin-4-yl]-4-(1-benzyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C23 H24 N6 O2 S2 |
| Smiles: | C1CN(CCC1c1nnc(n1c1cnn(Cc2ccccc2)c1)S)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7902 |
| logD: | 2.1133 |
| logSw: | -3.0072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.674 |
| InChI Key: | YDWOPLTYJHOZOA-UHFFFAOYSA-N |