2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(3-chlorophenyl)acetamide
2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | F166-0729 |
| Compound Name: | 2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 434.95 |
| Molecular Formula: | C23 H19 Cl N4 O S |
| Smiles: | C(C(Nc1cccc(c1)[Cl])=O)c1nnc(n1c1ccccc1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6822 |
| logD: | 4.6821 |
| logSw: | -4.909 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.838 |
| InChI Key: | SKPDWIITAQECAI-UHFFFAOYSA-N |