ethyl ({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D684-0237 |
| Compound Name: | ethyl ({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C17 H26 N8 O2 S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCC(=O)OCC)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1895 |
| logD: | 4.1892 |
| logSw: | -3.8795 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.828 |
| InChI Key: | QYRLGYKHVHQTRB-UHFFFAOYSA-N |