2,2-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)propan-1-one
Chemical Structure Depiction of
2,2-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)propan-1-one
2,2-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)propan-1-one
Compound characteristics
| Compound ID: | V003-2553 |
| Compound Name: | 2,2-dimethyl-1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)propan-1-one |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C29 H34 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9882 |
| logD: | 5.9777 |
| logSw: | -5.4035 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.4 |
| InChI Key: | RVEGDYVABLFXLK-UHFFFAOYSA-N |