4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-1299 |
| Compound Name: | 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 385.8 |
| Molecular Formula: | C15 H11 Cl F3 N5 S |
| Smiles: | C1CC1c1cc(c2nnc(n2c2cc(ccc2[Cl])C(F)(F)F)S)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1248 |
| logD: | 2.773 |
| logSw: | -4.4973 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.17 |
| InChI Key: | XUZQEWJSWSTMIY-UHFFFAOYSA-N |