N-(4-acetamidophenyl)-2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetamidophenyl)-2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-3358 |
| Compound Name: | N-(4-acetamidophenyl)-2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1nnc(c2cc3cc(ccc3o2)[Cl])n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5854 |
| logD: | 3.5854 |
| logSw: | -3.9357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.755 |
| InChI Key: | OXUBVNGYZRGYKD-UHFFFAOYSA-N |