2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Compound characteristics
| Compound ID: | J047-0051 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1465 |
| logD: | 4.1465 |
| logSw: | -4.2056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.73 |
| InChI Key: | QLXWWQKWXIPQEC-UHFFFAOYSA-N |