ethyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
ethyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | K402-0189 |
| Compound Name: | ethyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | CCOC(c1ccc(cc1)Nc1c2cnn(c3ccc(cc3)[Cl])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2648 |
| logD: | 5.2648 |
| logSw: | -5.8573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.781 |
| InChI Key: | XUZLIGRFZJZOKQ-UHFFFAOYSA-N |