methyl ({1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0125 |
| Compound Name: | methyl ({1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 324.36 |
| Molecular Formula: | C11 H16 N8 O2 S |
| Smiles: | CNc1nc(nc(n1)n1cnc(n1)SCC(=O)OC)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 1.5351 |
| logD: | 1.5156 |
| logSw: | -2.3357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.795 |
| InChI Key: | FWIHRWZACRFXKX-UHFFFAOYSA-N |