3-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8013-0839 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 301.79 |
| Molecular Formula: | C15 H12 Cl N3 S |
| Smiles: | C(c1ccccc1[Cl])Sc1nncn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9693 |
| logD: | 3.9693 |
| logSw: | -4.1768 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.3641 |
| InChI Key: | PNYQMFOCAQMDLF-UHFFFAOYSA-N |