ethyl 4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
ethyl 4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | 3486-0459 |
| Compound Name: | ethyl 4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c2cnn(Cc3ccccc3)c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3165 |
| logD: | 4.3141 |
| logSw: | -4.0298 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.645 |
| InChI Key: | QXVVHSFZJHASPC-UHFFFAOYSA-N |