2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
Compound characteristics
Compound ID: | J047-0614 |
Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide |
Molecular Weight: | 465.53 |
Molecular Formula: | C26 H19 N5 O2 S |
Smiles: | Cc1ccc(cc1)n1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccccc1C#N)=O |
Stereo: | ACHIRAL |
logP: | 5.2638 |
logD: | 5.2631 |
logSw: | -5.6782 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.513 |
InChI Key: | PGDUYOWNOJOXPR-UHFFFAOYSA-N |