2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | J047-0217 |
Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide |
Molecular Weight: | 392.48 |
Molecular Formula: | C21 H20 N4 O2 S |
Smiles: | Cc1cc(C)cc(c1)NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O |
Stereo: | ACHIRAL |
logP: | 4.5436 |
logD: | 4.5436 |
logSw: | -4.6962 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.493 |
InChI Key: | YHGCWBDFSXUKNC-UHFFFAOYSA-N |