1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-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}hexan-1-one
1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Compound characteristics
Compound ID: | V011-1462 |
Compound Name: | 1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one |
Molecular Weight: | 462.64 |
Molecular Formula: | C27 H38 N6 O |
Salt: | not_available |
Smiles: | CCCCCC(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(C(C)CCC)n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.4068 |
logD: | 6.2952 |
logSw: | -5.7285 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 53.153 |
InChI Key: | GBGSUUXLOKOSJO-NRFANRHFSA-N |