N-(3-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | J047-0013 |
Compound Name: | N-(3-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 406.46 |
Molecular Formula: | C21 H18 N4 O3 S |
Smiles: | CC(c1cccc(c1)NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5915 |
logD: | 3.5915 |
logSw: | -3.7905 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.32 |
InChI Key: | OVKQCLFGXITASE-UHFFFAOYSA-N |