3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-1491 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 403.84 |
| Molecular Formula: | C19 H12 Cl F2 N3 O S |
| Salt: | not_available |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1nnc(c2ccco2)n1c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.0417 |
| logD: | 5.0417 |
| logSw: | -5.2567 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.99 |
| InChI Key: | CJGOSHUPLHUBFR-UHFFFAOYSA-N |