3,5,5-trimethyl-1-{4-[6-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V010-1630 |
| Compound Name: | 3,5,5-trimethyl-1-{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one |
| Molecular Weight: | 490.69 |
| Molecular Formula: | C29 H42 N6 O |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(CC(C)CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7155 |
| logD: | 6.6319 |
| logSw: | -5.6575 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.144 |
| InChI Key: | JUWGMHXKCXYBDY-JOCHJYFZSA-N |