4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8598 |
| Compound Name: | 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(methanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 470.97 |
| Molecular Formula: | C18 H20 Cl F N6 O2 S2 |
| Smiles: | CS(N1CCCC(C1)c1nnc(n1c1ccn(Cc2c(cccc2[Cl])F)n1)S)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0929 |
| logD: | 1.4698 |
| logSw: | -2.8084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.718 |
| InChI Key: | RLSSJPOBYCHGNQ-LBPRGKRZSA-N |