2-({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D385-0194 |
| Compound Name: | 2-({1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 377.47 |
| Molecular Formula: | C15 H23 N9 O S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCC(N)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.8173 |
| logD: | 2.817 |
| logSw: | -3.1511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.058 |
| InChI Key: | CBJWOHURHNUZRJ-UHFFFAOYSA-N |