1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V021-7376 |
| Compound Name: | 1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 547.1 |
| Molecular Formula: | C30 H35 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(Cc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7501 |
| logD: | 6.627 |
| logSw: | -6.3777 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.416 |
| InChI Key: | AEAMZEHPLATYMI-UHFFFAOYSA-N |