3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-9760 |
| Compound Name: | 3-benzyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 391.92 |
| Molecular Formula: | C22 H18 Cl N3 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2181 |
| logD: | 5.2181 |
| logSw: | -5.8691 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6887 |
| InChI Key: | IEBXTAPEMVKMAE-UHFFFAOYSA-N |