2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | J047-0574 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C22 H17 N5 O2 S2 |
| Smiles: | Cc1csc(NC(CSc2nnc(c3cc4ccccc4o3)n2c2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8608 |
| logD: | 4.8558 |
| logSw: | -5.1476 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.008 |
| InChI Key: | NEHAKRRHMYXHJI-UHFFFAOYSA-N |