4-(azepan-1-yl)-N-methyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(azepan-1-yl)-N-methyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine
4-(azepan-1-yl)-N-methyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0109 |
| Compound Name: | 4-(azepan-1-yl)-N-methyl-6-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine |
| Molecular Weight: | 320.42 |
| Molecular Formula: | C13 H20 N8 S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SC)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6172 |
| logD: | 3.6167 |
| logSw: | -3.7388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.194 |
| InChI Key: | YCCWUKUZLYZFCV-UHFFFAOYSA-N |