methyl ({7-methyl-6-[2-(piperidin-1-yl)pyrimidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({7-methyl-6-[2-(piperidin-1-yl)pyrimidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
methyl ({7-methyl-6-[2-(piperidin-1-yl)pyrimidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y020-4230 |
| Compound Name: | methyl ({7-methyl-6-[2-(piperidin-1-yl)pyrimidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C18 H21 N7 O2 S |
| Smiles: | Cc1c(cnc2nc(nn12)SCC(=O)OC)c1ccnc(n1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.1995 |
| logD: | 2.1974 |
| logSw: | -2.5229 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.733 |
| InChI Key: | HZDFYIDMOZDCCG-UHFFFAOYSA-N |