3-benzyl-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-benzyl-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-2022 |
| Compound Name: | 3-benzyl-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 426.37 |
| Molecular Formula: | C22 H17 Cl2 N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1ccccc1)SCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3092 |
| logD: | 6.3092 |
| logSw: | -6.4302 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | PKXCNJHFJQDZEJ-UHFFFAOYSA-N |