N-(6-acetamido-1,3-benzothiazol-2-yl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J047-0467 |
| Compound Name: | N-(6-acetamido-1,3-benzothiazol-2-yl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C22 H18 N6 O3 S2 |
| Smiles: | CC(Nc1ccc2c(c1)sc(NC(CSc1nnc(c3cc4ccccc4o3)n1C)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9308 |
| logD: | 3.9307 |
| logSw: | -3.9843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.516 |
| InChI Key: | JUBFHCNHGVCADV-UHFFFAOYSA-N |