{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone
{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | V002-4895 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone |
| Molecular Weight: | 563.1 |
| Molecular Formula: | C30 H35 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(c1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6881 |
| logD: | 6.565 |
| logSw: | -6.3942 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.487 |
| InChI Key: | XDPVZCVPMDQMNH-UHFFFAOYSA-N |