2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | Y205-8855 |
| Compound Name: | 2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C22 H22 N4 O S2 |
| Smiles: | CCn1c(c2csc3ccccc23)nnc1SCC(Nc1c(C)cccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7753 |
| logD: | 4.7753 |
| logSw: | -4.6905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.466 |
| InChI Key: | ICUDMDGEGGLXNT-UHFFFAOYSA-N |