ethyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
ethyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | K405-4190 |
| Compound Name: | ethyl 4-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate |
| Molecular Weight: | 283.29 |
| Molecular Formula: | C14 H13 N5 O2 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c2cn[nH]c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7308 |
| logD: | 2.7256 |
| logSw: | -2.9772 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.086 |
| InChI Key: | BENBIWHACUFYML-UHFFFAOYSA-N |