4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9810 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(1-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C21 H24 N8 O2 S2 |
| Smiles: | Cn1cc(cn1)S(N1CCCC(C1)c1nnc(n1c1cnn(Cc2ccccc2)c1)S)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.868 |
| logD: | 0.1911 |
| logSw: | -2.0329 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.417 |
| InChI Key: | ULPMSKXXKGTFLL-KRWDZBQOSA-N |