ethyl 4-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
ethyl 4-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V021-7365 |
| Compound Name: | ethyl 4-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate |
| Molecular Weight: | 527.07 |
| Molecular Formula: | C27 H35 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(CCC(C)C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4872 |
| logD: | 5.3641 |
| logSw: | -5.8142 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.303 |
| InChI Key: | BTCWBBSIBGPPMS-UHFFFAOYSA-N |