1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one
1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V017-1075 |
| Compound Name: | 1-[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4703 |
| logD: | 3.3685 |
| logSw: | -3.7848 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.649 |
| InChI Key: | KNBHFRMXVYGCMC-UHFFFAOYSA-N |