2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylcyclohexyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylcyclohexyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylcyclohexyl)acetamide
Compound characteristics
Compound ID: | J047-0054 |
Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylcyclohexyl)acetamide |
Molecular Weight: | 398.53 |
Molecular Formula: | C21 H26 N4 O2 S |
Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(NC1CCCCC1C)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.7288 |
logD: | 4.7288 |
logSw: | -5.0288 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.845 |
InChI Key: | KUXHSXUZEHZBPL-UHFFFAOYSA-N |