methyl ({1-[4-(ethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-(ethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-(ethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0386 |
| Compound Name: | methyl ({1-[4-(ethylamino)-6-(propylamino)-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: | CCCNc1nc(NCC)nc(n1)n1cnc(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3955 |
| logD: | 2.3948 |
| logSw: | -2.4596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.02 |
| InChI Key: | XPPILSYZQDBKMA-UHFFFAOYSA-N |