1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3-phenylpropan-1-one
Chemical Structure Depiction of
1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3-phenylpropan-1-one
1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | V019-1340 |
| Compound Name: | 1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-3-phenylpropan-1-one |
| Molecular Weight: | 530.67 |
| Molecular Formula: | C33 H34 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(CCc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5212 |
| logD: | 6.5107 |
| logSw: | -5.6469 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.601 |
| InChI Key: | USVLAQYPSWYHIL-UHFFFAOYSA-N |