1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V025-2076 |
| Compound Name: | 1-{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C22 H28 N6 O |
| Salt: | not_available |
| Smiles: | CCC(N1CCCN(CC1)c1c2cnn(c3ccc(C)cc3C)c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3376 |
| logD: | 4.2285 |
| logSw: | -4.1997 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.465 |
| InChI Key: | JKOIECNCTLORGA-UHFFFAOYSA-N |