2-({1-[4-(azepan-1-yl)-6-(methylamino)-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-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D385-0187 |
| Compound Name: | 2-({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C14 H21 N9 O S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCC(N)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.338 |
| logD: | 2.3375 |
| logSw: | -2.4159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.582 |
| InChI Key: | OUJZIHQDKXCROR-UHFFFAOYSA-N |