2-methoxy-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
2-methoxy-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V016-7572 |
| Compound Name: | 2-methoxy-1-(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(COC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8937 |
| logD: | 3.7919 |
| logSw: | -4.1791 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.649 |
| InChI Key: | CLWJUJGXOWKDGY-UHFFFAOYSA-N |