2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Compound characteristics
| Compound ID: | J047-0133 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C25 H20 N4 O2 S |
| Smiles: | C(c1ccccc1)NC(CSc1nnc(c2cc3ccccc3o2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9831 |
| logD: | 4.9831 |
| logSw: | -5.5145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.477 |
| InChI Key: | SIPZVDGRCVPXFT-UHFFFAOYSA-N |