dimethyl 5-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K402-0377 |
| Compound Name: | dimethyl 5-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(cn1)c(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)ncn2 |
| Stereo: | ACHIRAL |
| logP: | 5.6576 |
| logD: | 5.6574 |
| logSw: | -5.5303 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.074 |
| InChI Key: | WEHDBKSIMGZNAY-UHFFFAOYSA-N |