1-(4-{6-[(4-methylphenyl)methyl]-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-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one
1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V012-5837 |
| Compound Name: | 1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one |
| Molecular Weight: | 544.7 |
| Molecular Formula: | C34 H36 N6 O |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.111 |
| logD: | 7.1006 |
| logSw: | -5.6408 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.128 |
| InChI Key: | DJFFPQBLWYMVJP-GDLZYMKVSA-N |