1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Compound characteristics
Compound ID: | V021-7354 |
Compound Name: | 1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one |
Molecular Weight: | 455 |
Molecular Formula: | C24 H31 Cl N6 O |
Salt: | not_available |
Smiles: | CCCC(N1CCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(CCC(C)C)n1)=O |
Stereo: | ACHIRAL |
logP: | 5.9317 |
logD: | 5.8086 |
logSw: | -6.0553 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 53.813 |
InChI Key: | ZVAFVBLBJRVSSF-UHFFFAOYSA-N |