4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(ethanesulfonyl)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-(ethanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(ethanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8599 |
| Compound Name: | 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(ethanesulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 485 |
| Molecular Formula: | C19 H22 Cl F N6 O2 S2 |
| Smiles: | CCS(N1CCCC(C1)c1nnc(n1c1ccn(Cc2c(cccc2[Cl])F)n1)S)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4128 |
| logD: | 1.7897 |
| logSw: | -3.1072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.12 |
| InChI Key: | WGCZOBHDQYPHOK-ZDUSSCGKSA-N |