4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Chemical Structure Depiction of
4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
Compound characteristics
| Compound ID: | 3486-0489 |
| Compound Name: | 4-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid |
| Molecular Weight: | 345.36 |
| Molecular Formula: | C19 H15 N5 O2 |
| Smiles: | C(c1ccccc1)n1c2c(cn1)c(Nc1ccc(cc1)C(O)=O)ncn2 |
| Stereo: | ACHIRAL |
| logP: | 3.5633 |
| logD: | 1.1681 |
| logSw: | -3.4375 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.299 |
| InChI Key: | UPDHHXUNXOCMQA-UHFFFAOYSA-N |