2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D432-0113 |
| Compound Name: | 2-({5-[2-(benzylsulfanyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C19 H20 N4 O S2 |
| Smiles: | C(CSCc1ccccc1)c1nnc(n1c1ccccc1)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6928 |
| logD: | 2.6928 |
| logSw: | -2.8931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.348 |
| InChI Key: | WGCZUFGWYOGKAR-UHFFFAOYSA-N |