{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)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}(4-methylphenyl)methanone
{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | V001-4217 |
| Compound Name: | {4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C26 H27 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3[Cl])c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6607 |
| logD: | 4.3412 |
| logSw: | -4.785 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.074 |
| InChI Key: | BOGSRVFHLJGAJJ-UHFFFAOYSA-N |