(3-bromophenyl)(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
(3-bromophenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(3-bromophenyl)(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: | V004-1696 |
| Compound Name: | (3-bromophenyl)(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 581.52 |
| Molecular Formula: | C31 H29 Br N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(c2cccc(c2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.698 |
| logD: | 6.6875 |
| logSw: | -5.577 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.128 |
| InChI Key: | VCMSMDLAQJHHNN-UHFFFAOYSA-N |