methyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D684-0021 |
| Compound Name: | methyl ({1-[4-(ethylamino)-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: | CCNc1nc(NC)nc(n1)n1cnc(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4966 |
| logD: | 1.4881 |
| logSw: | -2.172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.329 |
| InChI Key: | WQEPJLFKCONBTR-UHFFFAOYSA-N |