3-benzyl-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-benzyl-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-1678 |
| Compound Name: | 3-benzyl-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 461.46 |
| Molecular Formula: | C23 H16 F5 N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 6.2561 |
| logD: | 6.2561 |
| logSw: | -6.4981 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | XZIMNQXTRMEMRM-UHFFFAOYSA-N |