3-({5-[1-(2-chlorobenzoyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({5-[1-(2-chlorobenzoyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
3-({5-[1-(2-chlorobenzoyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | D327-0164 |
| Compound Name: | 3-({5-[1-(2-chlorobenzoyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile |
| Molecular Weight: | 473.92 |
| Molecular Formula: | C24 H20 Cl N7 O2 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccc(C#N)c1)nn2)O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3567 |
| logD: | 1.9027 |
| logSw: | -3.2384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.258 |
| InChI Key: | YYMGRGPEXUNWFK-UHFFFAOYSA-N |