2-(4-chlorophenoxy)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
2-(4-chlorophenoxy)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V020-2598 |
| Compound Name: | 2-(4-chlorophenoxy)-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 533.03 |
| Molecular Formula: | C28 H29 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | C1COCCC1c1nc(c2cnn(c3ccccc3)c2n1)N1CCN(CC1)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7381 |
| logD: | 4.7224 |
| logSw: | -4.9934 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.879 |
| InChI Key: | QCDMHNRWWBCIJY-UHFFFAOYSA-N |