N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J047-0465 |
| Compound Name: | N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C25 H26 N6 O3 S |
| Smiles: | CC(N1CCN(CC1)c1ccc(cc1)NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3705 |
| logD: | 3.3703 |
| logSw: | -3.6895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.141 |
| InChI Key: | QFFBBQXLHQVLAQ-UHFFFAOYSA-N |