2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | F019-3357 |
| Compound Name: | 2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 434.92 |
| Molecular Formula: | C17 H15 Cl N6 O2 S2 |
| Smiles: | CCc1nnc(NC(CSc2nnc(c3cc4cc(ccc4o3)[Cl])n2C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9755 |
| logD: | 3.9278 |
| logSw: | -4.1865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.533 |
| InChI Key: | DMZJALJRGUBCJZ-UHFFFAOYSA-N |