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
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
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: | V018-7875 |
| Compound Name: | 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: | 454.57 |
| Molecular Formula: | C27 H30 N6 O |
| Salt: | not_available |
| Smiles: | CC(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5793 |
| logD: | 4.4775 |
| logSw: | -4.6256 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.221 |
| InChI Key: | RYUBNVRYAYRUOA-UHFFFAOYSA-N |