2-(benzyloxy)-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(benzyloxy)-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V012-0248 |
| Compound Name: | 2-(benzyloxy)-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 512.66 |
| Molecular Formula: | C30 H36 N6 O2 |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(COCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6677 |
| logD: | 5.5561 |
| logSw: | -5.4286 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.316 |
| InChI Key: | ZZIXUIDNJAKKCR-QHCPKHFHSA-N |