2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | J047-0006 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CC(C)c1ccccc1NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4583 |
| logD: | 4.4583 |
| logSw: | -4.3477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.795 |
| InChI Key: | AIZMGLXTVDKMNA-UHFFFAOYSA-N |