N-(5-bromopyridin-2-yl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-bromopyridin-2-yl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9314 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C16 H15 Br N6 O S |
| Smiles: | CCn1c(c2ccccn2)nnc1SCC(Nc1ccc(cn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9778 |
| logD: | 2.9689 |
| logSw: | -3.1645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.867 |
| InChI Key: | NXSRJQHPCDBABZ-UHFFFAOYSA-N |