2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,6-dimethylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0422 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 471.37 |
| Molecular Formula: | C21 H19 Br N4 O2 S |
| Smiles: | Cc1cc(cc(C)c1NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8398 |
| logD: | 4.8394 |
| logSw: | -5.168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.097 |
| InChI Key: | SPSFQJBLTCPKJN-UHFFFAOYSA-N |