2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | J047-0584 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C21 H16 N6 O2 S2 |
| Smiles: | Cc1nnc(NC(CSc2nnc(c3cc4ccccc4o3)n2c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1289 |
| logD: | 4.0882 |
| logSw: | -4.2754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.506 |
| InChI Key: | HGQHLALQFWPOPP-UHFFFAOYSA-N |