{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | V026-2064 |
| Compound Name: | {4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C27 H30 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1c2cnn(c3ccc(C)cc3C)c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.549 |
| logD: | 5.4399 |
| logSw: | -5.302 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.721 |
| InChI Key: | SAUUYHATZZAARW-UHFFFAOYSA-N |