3-benzyl-4-(3-chlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-4-(3-chlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-benzyl-4-(3-chlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-7258 |
| Compound Name: | 3-benzyl-4-(3-chlorophenyl)-5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 459.92 |
| Molecular Formula: | C23 H17 Cl F3 N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)[Cl])SCc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.5495 |
| logD: | 6.5495 |
| logSw: | -6.8133 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | HRLATBDNQYHPJD-UHFFFAOYSA-N |