(4-{3-[(3,5-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2-fluorophenyl)methanone
Chemical Structure Depiction of
(4-{3-[(3,5-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2-fluorophenyl)methanone
(4-{3-[(3,5-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2-fluorophenyl)methanone
Compound characteristics
| Compound ID: | D122-0074 |
| Compound Name: | (4-{3-[(3,5-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(2-fluorophenyl)methanone |
| Molecular Weight: | 468.44 |
| Molecular Formula: | C23 H19 F3 N6 O2 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cc(cc(c1)F)F)nn2)O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9167 |
| logD: | 2.4626 |
| logSw: | -3.3309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | TVGQYZDJJHDCFZ-UHFFFAOYSA-N |