5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-9686 |
| Compound Name: | 5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C22 H15 F3 N6 S |
| Smiles: | C(c1nnc(n1c1ccccc1C(F)(F)F)S)n1c2ccccc2nc1c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9022 |
| logD: | 1.695 |
| logSw: | -4.4199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.109 |
| InChI Key: | RNKPBCIYZUSZIV-UHFFFAOYSA-N |