3,3-dimethyl-1-(4-{3-methyl-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-{3-methyl-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-{3-methyl-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: | V018-7887 |
| Compound Name: | 3,3-dimethyl-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)butan-1-one |
| Molecular Weight: | 510.68 |
| Molecular Formula: | C31 H38 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(CC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2051 |
| logD: | 6.1033 |
| logSw: | -5.8051 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.225 |
| InChI Key: | RKVSWZALLJKNEG-UHFFFAOYSA-N |