2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | J047-0449 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C21 H16 N6 O2 S2 |
| Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(Nc1nnc(c2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4559 |
| logD: | 4.4558 |
| logSw: | -4.3919 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.766 |
| InChI Key: | PTKYPBSAIUQKLO-UHFFFAOYSA-N |