3-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
Chemical Structure Depiction of
3-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
3-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
Compound characteristics
| Compound ID: | K405-2842 |
| Compound Name: | 3-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile |
| Molecular Weight: | 346.78 |
| Molecular Formula: | C18 H11 Cl N6 |
| Smiles: | C(c1cccc(c1)Nc1c2cnn(c3cccc(c3)[Cl])c2ncn1)#N |
| Stereo: | ACHIRAL |
| logP: | 4.5641 |
| logD: | 4.5641 |
| logSw: | -4.6591 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.084 |
| InChI Key: | WQWAYCDAZHSWSG-UHFFFAOYSA-N |