4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5066 |
| Compound Name: | 4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C18 H21 Cl N6 O2 S2 |
| Smiles: | CS(N1CCCC(C1)c1nnc(n1c1cnn(Cc2ccc(cc2)[Cl])c1)S)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7663 |
| logD: | 1.0894 |
| logSw: | -2.594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.372 |
| InChI Key: | MKXUHRLZTABIJA-AWEZNQCLSA-N |