{4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
{4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
Compound characteristics
| Compound ID: | V027-0180 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C24 H25 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)c1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0448 |
| logD: | 4.9803 |
| logSw: | -5.0961 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.988 |
| InChI Key: | GAHNGXRIOKXZBZ-UHFFFAOYSA-N |