ethyl ({1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0358 |
| Compound Name: | ethyl ({1-[4-(diethylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C15 H24 N8 O2 S |
| Smiles: | CCN(CC)c1nc(nc(n1)n1cnc(n1)SCC(=O)OCC)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.8026 |
| logD: | 3.7276 |
| logSw: | -3.7503 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.247 |
| InChI Key: | PRQWWQLEFMBURA-UHFFFAOYSA-N |