3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-4H-1,2,4-triazole
3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-1376 |
| Compound Name: | 3-(2-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 431.87 |
| Molecular Formula: | C21 H13 Cl F3 N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccc(c(c1)F)F)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.8003 |
| logD: | 5.8003 |
| logSw: | -6.198 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.4116 |
| InChI Key: | JBKAASVNSQXFRS-UHFFFAOYSA-N |