N-(5-bromopyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-bromopyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-7276 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C17 H15 Br N6 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(cn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9538 |
| logD: | 2.9326 |
| logSw: | -3.1228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.591 |
| InChI Key: | CJKFBRYEFAYFBJ-UHFFFAOYSA-N |