5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-5640 |
| Compound Name: | 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C18 H18 N6 S |
| Smiles: | CC(C)(C)c1cc(c2nnc(n2c2cccc3c2cccn3)S)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4996 |
| logD: | 2.7635 |
| logSw: | -3.6775 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.681 |
| InChI Key: | HJHFIFFUMLWCSP-UHFFFAOYSA-N |