3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-8811 |
| Compound Name: | 3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 405.95 |
| Molecular Formula: | C23 H20 Cl N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.763 |
| logD: | 5.763 |
| logSw: | -6.0489 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | UFHMUXLMBQGSHP-UHFFFAOYSA-N |