3-(2-chlorophenyl)-5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-chlorophenyl)-5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
3-(2-chlorophenyl)-5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9476 |
| Compound Name: | 3-(2-chlorophenyl)-5-{[(2,5-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 427.9 |
| Molecular Formula: | C22 H16 Cl F2 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2[Cl])nnc1SCc1cc(ccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 6.538 |
| logD: | 6.538 |
| logSw: | -6.4107 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7125 |
| InChI Key: | ITNPDMFCNUTOKN-UHFFFAOYSA-N |