3-benzyl-4-(4-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-4-(4-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-benzyl-4-(4-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V004-3005 |
| Compound Name: | 3-benzyl-4-(4-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 439.5 |
| Molecular Formula: | C24 H20 F3 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.2027 |
| logD: | 6.2027 |
| logSw: | -5.9301 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | WBWBAPKOEOTMDC-UHFFFAOYSA-N |