2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0261 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8554 |
| logD: | 5.8552 |
| logSw: | -6.1108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.408 |
| InChI Key: | QTSKZAMVMGMZFL-UHFFFAOYSA-N |