2-(3-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
2-(3-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
2-(3-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | D203-0070 |
| Compound Name: | 2-(3-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C23 H20 F N7 O3 S |
| Smiles: | C1CC(CN(C1)S(c1ccccc1C#N)(=O)=O)c1nc(c2c(n1)n(Cc1ccc(cc1)F)nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2599 |
| logD: | 1.8058 |
| logSw: | -2.8238 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.254 |
| InChI Key: | LUHLDXOKENYDIJ-KRWDZBQOSA-N |