3-benzyl-4-[3-(trifluoromethyl)phenyl]-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-4-[3-(trifluoromethyl)phenyl]-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-benzyl-4-[3-(trifluoromethyl)phenyl]-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-1328 |
| Compound Name: | 3-benzyl-4-[3-(trifluoromethyl)phenyl]-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 493.47 |
| Molecular Formula: | C24 H17 F6 N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.4435 |
| logD: | 6.4435 |
| logSw: | -6.6791 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | OHUJLYSTKUZLPK-UHFFFAOYSA-N |