5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | C200-5375 |
| Compound Name: | 5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C21 H24 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)n1c(C2CCN(CC2)S(c2ccc(C)cc2)(=O)=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.9971 |
| logD: | 2.7378 |
| logSw: | -3.978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.169 |
| InChI Key: | PMJVBOVNPUORDD-UHFFFAOYSA-N |