methyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D684-0111 |
| Compound Name: | methyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C15 H22 N8 O2 S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCC(=O)OC)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1191 |
| logD: | 3.1186 |
| logSw: | -3.1806 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.773 |
| InChI Key: | CIKFWJCOGBYJJP-UHFFFAOYSA-N |