2-({1-[4-(azepan-1-yl)-6-(dimethylamino)-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-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({1-[4-(azepan-1-yl)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D385-0201 |
| Compound Name: | 2-({1-[4-(azepan-1-yl)-6-(dimethylamino)-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: | CN(C)c1nc(nc(n1)n1cnc(n1)SCC(N)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9582 |
| logD: | 2.9559 |
| logSw: | -3.0422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.523 |
| InChI Key: | QSXLCEJINFJVFW-UHFFFAOYSA-N |