4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazole-3-thiol
4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-0257 |
| Compound Name: | 4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 335.35 |
| Molecular Formula: | C16 H12 F3 N3 S |
| Smiles: | C(c1cccc(c1)C(F)(F)F)c1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.63 |
| logD: | 2.3707 |
| logSw: | -4.0899 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.4339 |
| InChI Key: | AYAYMNNHDDTQDQ-UHFFFAOYSA-N |