2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | J047-0004 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C19 H15 Cl N4 O2 S |
| Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4454 |
| logD: | 4.4453 |
| logSw: | -4.5291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.493 |
| InChI Key: | SJIKWUNEUBYDQU-UHFFFAOYSA-N |