ethyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0148 |
| Compound Name: | ethyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C12 H18 N8 O2 S |
| Smiles: | CCNc1nc(NC)nc(n1)n1cnc(n1)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.0878 |
| logD: | 2.0792 |
| logSw: | -2.373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.909 |
| InChI Key: | IWOJEKITLQOQSO-UHFFFAOYSA-N |