N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-methylphenoxy)acetamide
Chemical Structure Depiction of
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-methylphenoxy)acetamide
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | F614-0256 |
| Compound Name: | N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(2-methylphenoxy)acetamide |
| Molecular Weight: | 473.92 |
| Molecular Formula: | C24 H20 Cl N7 O2 |
| Smiles: | Cc1ccccc1OCC(Nc1cc(C)nn1c1c2cnn(c3cccc(c3)[Cl])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7727 |
| logD: | 4.7718 |
| logSw: | -4.8105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.113 |
| InChI Key: | KBJNVNUBUQYXLR-UHFFFAOYSA-N |