3-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of
3-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)pyridine
3-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)pyridine
Compound characteristics
| Compound ID: | V004-3381 |
| Compound Name: | 3-(5-{[(2,6-difluorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)pyridine |
| Molecular Weight: | 448.42 |
| Molecular Formula: | C21 H13 F5 N4 S |
| Salt: | not_available |
| Smiles: | C(c1c(cccc1F)F)Sc1nnc(c2cccnc2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.9507 |
| logD: | 4.9465 |
| logSw: | -4.7757 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.23 |
| InChI Key: | YEYYVHUHCUYDFY-UHFFFAOYSA-N |