butyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
butyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | K405-4235 |
| Compound Name: | butyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C16 H17 N5 O2 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c2cn[nH]c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7155 |
| logD: | 3.7103 |
| logSw: | -3.8069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.381 |
| InChI Key: | SHOVCPNCFKTRDV-UHFFFAOYSA-N |