3,3-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one
3,3-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V003-2792 |
| Compound Name: | 3,3-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one |
| Molecular Weight: | 496.66 |
| Molecular Formula: | C30 H36 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(CC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4098 |
| logD: | 6.3994 |
| logSw: | -5.6057 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.872 |
| InChI Key: | LJFQVZNXXJGKED-UHFFFAOYSA-N |