3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-0096 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 413.87 |
| Molecular Formula: | C21 H14 Cl F2 N3 S |
| Salt: | not_available |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1nnc(c2ccc(cc2)F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0462 |
| logD: | 6.0462 |
| logSw: | -6.3766 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | LRKSTJAVYQMTTD-UHFFFAOYSA-N |