1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}hexan-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}hexan-1-one
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V021-6751 |
| Compound Name: | 1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}hexan-1-one |
| Molecular Weight: | 483.06 |
| Molecular Formula: | C26 H35 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCCCCC(N1CCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(CCC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7878 |
| logD: | 6.6647 |
| logSw: | -6.2441 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.813 |
| InChI Key: | IENXNOMKLLYQDG-UHFFFAOYSA-N |