2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | J047-0484 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C21 H20 N4 O2 S2 |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9261 |
| logD: | 4.9261 |
| logSw: | -5.2223 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.408 |
| InChI Key: | XDZVLRNIKKTHEK-UHFFFAOYSA-N |