methyl ({6-acetyl-7-[2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({6-acetyl-7-[2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
methyl ({6-acetyl-7-[2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y020-9809 |
| Compound Name: | methyl ({6-acetyl-7-[2-(dimethylamino)ethenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C14 H17 N5 O3 S |
| Smiles: | CC(c1cnc2nc(nn2c1/C=C/N(C)C)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2698 |
| logD: | 0.265 |
| logSw: | -1.6072 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.457 |
| InChI Key: | LLXKVQDGPBVYRQ-UHFFFAOYSA-N |