1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-2-yl)ethan-1-one
1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | D203-0112 |
| Compound Name: | 1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C22 H21 F N6 O2 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5116 |
| logD: | 2.0575 |
| logSw: | -2.3828 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.693 |
| InChI Key: | ZRYCGMYJDJRFMZ-UHFFFAOYSA-N |