4-(azepan-1-yl)-6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-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-ethyl-1,3,5-triazin-2-amine
4-(azepan-1-yl)-6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0235 |
| Compound Name: | 4-(azepan-1-yl)-6-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-1,3,5-triazin-2-amine |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C20 H26 N8 S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCc1ccccc1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3029 |
| logD: | 5.3026 |
| logSw: | -5.3258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.398 |
| InChI Key: | VWNVLBPLDRQVGF-UHFFFAOYSA-N |