1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V018-7837 |
| Compound Name: | 1-{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one |
| Molecular Weight: | 510.68 |
| Molecular Formula: | C31 H38 N6 O |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(CC(C)C)n1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2941 |
| logD: | 5.7753 |
| logSw: | -5.8094 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | MTMPRPJSHSYYCH-AREMUKBSSA-N |