4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9806 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C18 H22 N6 O2 S2 |
| Smiles: | CS(N1CCCC(C1)c1nnc(n1c1cnn(Cc2ccccc2)c1)S)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1716 |
| logD: | 0.4947 |
| logSw: | -2.0747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.372 |
| InChI Key: | NULKUNUGFCVDKC-HNNXBMFYSA-N |