1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-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}-3-phenylpropan-1-one
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | V021-7327 |
| Compound Name: | 1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-phenylpropan-1-one |
| Molecular Weight: | 531.1 |
| Molecular Formula: | C30 H35 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0765 |
| logD: | 6.9534 |
| logSw: | -6.2909 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.872 |
| InChI Key: | MDGATBVGBGUKKJ-UHFFFAOYSA-N |