(4-tert-butylphenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(4-tert-butylphenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Compound characteristics
| Compound ID: | V012-5859 |
| Compound Name: | (4-tert-butylphenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 558.73 |
| Molecular Formula: | C35 H38 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(c2ccc(cc2)C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.7276 |
| logD: | 7.7172 |
| logSw: | -5.6951 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.128 |
| InChI Key: | XATQHRVUMDODFP-UHFFFAOYSA-N |