1-(3-{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-(3-{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-(3-{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: | D264-0850 |
| Compound Name: | 1-(3-{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: | C1CC(CN(C1)C(Cc1ccsc1)=O)c1nc(c2c(n1)n(Cc1cccc(c1)F)nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5887 |
| logD: | 1.7845 |
| logSw: | -2.5908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.627 |
| InChI Key: | RUNAKVGLYRTUDW-INIZCTEOSA-N |