{4-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | V024-7577 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 460.97 |
| Molecular Formula: | C25 H25 Cl N6 O |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0835 |
| logD: | 5.042 |
| logSw: | -5.3991 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.022 |
| InChI Key: | RTJPFOPVNJSFMS-UHFFFAOYSA-N |