{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclohexyl)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}(cyclohexyl)methanone
{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclohexyl)methanone
Compound characteristics
| Compound ID: | V021-7361 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclohexyl)methanone |
| Molecular Weight: | 509.09 |
| Molecular Formula: | C28 H37 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1128 |
| logD: | 6.9897 |
| logSw: | -6.3663 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.592 |
| InChI Key: | ZLXWFTPLTZIIFC-UHFFFAOYSA-N |