ethyl 5-amino-1-{1-[(4-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-amino-1-{1-[(4-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazole-4-carboxylate
ethyl 5-amino-1-{1-[(4-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | D724-0150 |
| Compound Name: | ethyl 5-amino-1-{1-[(4-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 397.82 |
| Molecular Formula: | C18 H16 Cl N7 O2 |
| Smiles: | CCOC(c1cnn(c2c3cnn(Cc4ccc(cc4)[Cl])c3ncn2)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1842 |
| logD: | 3.1838 |
| logSw: | -3.4419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.342 |
| InChI Key: | SNTXTYSDHARQSU-UHFFFAOYSA-N |