2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-methylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0005 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-methylphenyl)acetamide |
| Molecular Weight: | 457.35 |
| Molecular Formula: | C20 H17 Br N4 O2 S |
| Smiles: | Cc1cc(ccc1NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6689 |
| logD: | 4.6687 |
| logSw: | -5.0484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.795 |
| InChI Key: | PCNZYGRGZUQIDF-UHFFFAOYSA-N |