{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone
Chemical Structure Depiction of
{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone
{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone
Compound characteristics
| Compound ID: | V001-4098 |
| Compound Name: | {4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclobutyl)methanone |
| Molecular Weight: | 438.96 |
| Molecular Formula: | C23 H27 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C)nc2n(c2ccccc2[Cl])n1)N1CCCN(CC1)C(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5525 |
| logD: | 3.233 |
| logSw: | -3.6619 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.597 |
| InChI Key: | WSSBKSYHSMYLAX-UHFFFAOYSA-N |