3,5,5-trimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one
Chemical Structure Depiction of
3,5,5-trimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one
3,5,5-trimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one
Compound characteristics
| Compound ID: | V011-5590 |
| Compound Name: | 3,5,5-trimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one |
| Molecular Weight: | 538.74 |
| Molecular Formula: | C33 H42 N6 O |
| Salt: | not_available |
| Smiles: | CC(CC(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3277 |
| logD: | 7.3172 |
| logSw: | -5.6361 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.872 |
| InChI Key: | AUXATXMFXNVRFE-RUZDIDTESA-N |