1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one
1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | D264-0852 |
| Compound Name: | 1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C22 H21 F N6 O2 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccc(c1)F)nn2)O)C(Cc1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5212 |
| logD: | 2.0672 |
| logSw: | -2.473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.693 |
| InChI Key: | VSYRUJBDXFGFHF-UHFFFAOYSA-N |