4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[rel-(1R,2R)-2-phenylcyclopropyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[rel-(1R,2R)-2-phenylcyclopropyl]-4H-1,2,4-triazole-3-thiol
4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[rel-(1R,2R)-2-phenylcyclopropyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-9491 |
| Compound Name: | 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[rel-(1R,2R)-2-phenylcyclopropyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 395.83 |
| Molecular Formula: | C18 H13 Cl F3 N3 S |
| Smiles: | C1[C@@H](c2ccccc2)[C@@H]1c1nnc(n1c1cc(ccc1[Cl])C(F)(F)F)S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0607 |
| logD: | 2.8073 |
| logSw: | -5.7317 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4084 |
| InChI Key: | ZYUXKGDCCODIMB-STQMWFEESA-N |