(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(2-methylphenyl)methanone
Chemical Structure Depiction of
(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(2-methylphenyl)methanone
(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(2-methylphenyl)methanone
Compound characteristics
| Compound ID: | V018-9805 |
| Compound Name: | (4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(2-methylphenyl)methanone |
| Molecular Weight: | 530.67 |
| Molecular Formula: | C33 H34 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(c2ccccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1189 |
| logD: | 6.0172 |
| logSw: | -5.7638 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | KCSLLYILRLHCTN-UHFFFAOYSA-N |