2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
Compound characteristics
| Compound ID: | J047-0585 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide |
| Molecular Weight: | 451.51 |
| Molecular Formula: | C25 H17 N5 O2 S |
| Smiles: | C(C(Nc1ccccc1C#N)=O)Sc1nnc(c2cc3ccccc3o2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7189 |
| logD: | 4.7181 |
| logSw: | -5.2589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.513 |
| InChI Key: | SCIOZQDXDZCEAV-UHFFFAOYSA-N |