3-(4-{3-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile
3-(4-{3-[(2-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | D297-0076 |
| Compound Name: | 3-(4-{3-[(2-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 473.92 |
| Molecular Formula: | C24 H20 Cl N7 O2 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccccc1[Cl])nn2)O)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5616 |
| logD: | 2.1076 |
| logSw: | -3.0097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.258 |
| InChI Key: | QZWHHSXAIMBHHC-UHFFFAOYSA-N |