dimethyl 5-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K402-0374 |
| Compound Name: | dimethyl 5-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C21 H16 Cl N5 O4 |
| Smiles: | COC(c1cc(cc(c1)Nc1c2cnn(c3ccc(cc3)[Cl])c2ncn1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1523 |
| logD: | 5.1522 |
| logSw: | -5.7212 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.375 |
| InChI Key: | FNHIOIUSZBJDRM-UHFFFAOYSA-N |