1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one
Chemical Structure Depiction of
1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one
1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one
Compound characteristics
| Compound ID: | V012-6787 |
| Compound Name: | 1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}heptan-1-one |
| Molecular Weight: | 476.67 |
| Molecular Formula: | C28 H40 N6 O |
| Salt: | not_available |
| Smiles: | CCCCCCC(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(C(C)CCC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9027 |
| logD: | 6.7911 |
| logSw: | -5.7585 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.153 |
| InChI Key: | UHKAZXMPFVOFSN-QFIPXVFZSA-N |