4-(azepan-1-yl)-6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-methyl-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(azepan-1-yl)-6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-methyl-1,3,5-triazin-2-amine
4-(azepan-1-yl)-6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-methyl-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0110 |
| Compound Name: | 4-(azepan-1-yl)-6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-methyl-1,3,5-triazin-2-amine |
| Molecular Weight: | 396.52 |
| Molecular Formula: | C19 H24 N8 S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCc1ccccc1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8236 |
| logD: | 4.8231 |
| logSw: | -4.5106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.923 |
| InChI Key: | XRGPBDLWXSYSND-UHFFFAOYSA-N |