N-(5-bromopyridin-2-yl)-2-{[5-ethyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-bromopyridin-2-yl)-2-{[5-ethyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-bromopyridin-2-yl)-2-{[5-ethyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-5547 |
| Compound Name: | N-(5-bromopyridin-2-yl)-2-{[5-ethyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 382.28 |
| Molecular Formula: | C14 H16 Br N5 O S |
| Smiles: | CCc1nnc(n1CC=C)SCC(Nc1ccc(cn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0282 |
| logD: | 3.0195 |
| logSw: | -3.1696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.321 |
| InChI Key: | MIVMQLZHNLDZCN-UHFFFAOYSA-N |