3-{[(2-fluorophenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-fluorophenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-{[(2-fluorophenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-2045 |
| Compound Name: | 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-phenyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 429.44 |
| Molecular Formula: | C22 H15 F4 N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1F)Sc1nnc(c2ccccc2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.397 |
| logD: | 6.397 |
| logSw: | -6.555 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | GJDIVRPAVMQEQR-UHFFFAOYSA-N |