ethyl ({1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0158 |
| Compound Name: | ethyl ({1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C12 H17 N7 O3 S |
| Smiles: | CCOC(CSc1ncn(c2nc(nc(n2)OC)N(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3287 |
| logD: | 2.3286 |
| logSw: | -2.315 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.928 |
| InChI Key: | PCJFBDDNSZBVMJ-UHFFFAOYSA-N |