{4-[6-(butan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone
Chemical Structure Depiction of
{4-[6-(butan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone
{4-[6-(butan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone
Compound characteristics
| Compound ID: | V028-2338 |
| Compound Name: | {4-[6-(butan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone |
| Molecular Weight: | 489.02 |
| Molecular Formula: | C27 H29 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.822 |
| logD: | 5.7402 |
| logSw: | -5.8618 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.409 |
| InChI Key: | WKKMCRYPXAYZBX-IBGZPJMESA-N |