methyl ({1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0126 |
| Compound Name: | methyl ({1-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 352.42 |
| Molecular Formula: | C13 H20 N8 O2 S |
| Smiles: | CCN(CC)c1nc(NC)nc(n1)n1cnc(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5913 |
| logD: | 2.5741 |
| logSw: | -2.7375 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.726 |
| InChI Key: | SEKSJUNXXBRQBB-UHFFFAOYSA-N |