ethyl 4-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
ethyl 4-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V020-2656 |
| Compound Name: | ethyl 4-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-4-oxobutanoate |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C27 H34 N6 O4 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(C2CCOCC2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6292 |
| logD: | 3.6135 |
| logSw: | -3.4997 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.141 |
| InChI Key: | XFBGQLNTSRQORT-UHFFFAOYSA-N |