5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-7342 |
| Compound Name: | 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 354.82 |
| Molecular Formula: | C16 H11 Cl N6 S |
| Smiles: | c1cc(cnc1)n1c(c2cc(c3ccc(cc3)[Cl])n[nH]2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.3129 |
| logD: | 2.6677 |
| logSw: | -3.7453 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.465 |
| InChI Key: | LJLKVBHKNCDUQF-UHFFFAOYSA-N |