2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide
Compound characteristics
| Compound ID: | J047-0644 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-1H-benzimidazol-6-yl)acetamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C27 H22 N6 O2 S |
| Smiles: | Cc1nc2ccc(cc2[nH]1)NC(CSc1nnc(c2cc3ccccc3o2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2542 |
| logD: | 5.2493 |
| logSw: | -5.6953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.315 |
| InChI Key: | UPGXIFMTUBQYRE-UHFFFAOYSA-N |