2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | J047-0349 |
Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide |
Molecular Weight: | 456.52 |
Molecular Formula: | C25 H20 N4 O3 S |
Smiles: | COc1ccccc1NC(CSc1nnc(c2cc3ccccc3o2)n1c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.0549 |
logD: | 5.0548 |
logSw: | -5.2815 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.087 |
InChI Key: | WPKDSROOPNIZSK-UHFFFAOYSA-N |