butyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
butyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | K405-4197 |
| Compound Name: | butyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c2cnn(c3ccccc3)c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5333 |
| logD: | 5.5332 |
| logSw: | -5.62 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.075 |
| InChI Key: | HCSNMYSFNPOEDU-UHFFFAOYSA-N |