1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-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}propan-1-one
1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V018-5402 |
| Compound Name: | 1-{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 455 |
| Molecular Formula: | C24 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCC(N1CCCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(CCC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7004 |
| logD: | 5.5773 |
| logSw: | -5.8304 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.144 |
| InChI Key: | UJBAZWIYUHMUFW-UHFFFAOYSA-N |