N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J047-0355 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc(c2cc3ccccc3o2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1349 |
| logD: | 5.1348 |
| logSw: | -5.9871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.27 |
| InChI Key: | ADOGEARRVPIDEO-UHFFFAOYSA-N |