N-(2-benzoyl-4-chlorophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-benzoyl-4-chlorophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-benzoyl-4-chlorophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5236-0056 |
| Compound Name: | N-(2-benzoyl-4-chlorophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C24 H20 Cl N5 O2 S |
| Smiles: | CCn1c(c2ccncc2)nnc1SCC(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1851 |
| logD: | 4.1793 |
| logSw: | -4.5847 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.312 |
| InChI Key: | YFWCUAGUYWSTDP-UHFFFAOYSA-N |