3-methyl-1-{4-[6-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{4-[6-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one
3-methyl-1-{4-[6-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V025-5214 |
| Compound Name: | 3-methyl-1-{4-[6-methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}butan-1-one |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C23 H30 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCCN(CC1)c1c2cnn(c3cccc(C)c3)c2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4801 |
| logD: | 4.2862 |
| logSw: | -4.2349 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.766 |
| InChI Key: | RVKANLROTJWBIY-UHFFFAOYSA-N |