3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile
3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | D203-0104 |
| Compound Name: | 3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 457.47 |
| Molecular Formula: | C24 H20 F N7 O2 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc(cc1)F)nn2)O)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9345 |
| logD: | 1.4804 |
| logSw: | -2.1788 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.258 |
| InChI Key: | OYBTVYMDBANDEZ-UHFFFAOYSA-N |