ethyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
ethyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | 3486-0460 |
| Compound Name: | ethyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate |
| Molecular Weight: | 359.39 |
| Molecular Formula: | C20 H17 N5 O2 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c2cnn(c3ccccc3)c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5486 |
| logD: | 4.5485 |
| logSw: | -4.0865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.781 |
| InChI Key: | PVMCVMGPILICNP-UHFFFAOYSA-N |