4-benzyl-3-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
4-benzyl-3-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8009-3905 |
| Compound Name: | 4-benzyl-3-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 426.37 |
| Molecular Formula: | C22 H17 Cl2 N3 S |
| Smiles: | C(c1ccccc1)n1c(c2ccccc2)nnc1SCc1cc(ccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7994 |
| logD: | 6.7994 |
| logSw: | -6.7185 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.9692 |
| InChI Key: | AEDSMPCPNSCUGL-UHFFFAOYSA-N |