(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methyl-3-nitrophenyl)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)(4-methyl-3-nitrophenyl)methanone
(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V030-9251 |
| Compound Name: | (4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 575.67 |
| Molecular Formula: | C33 H33 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)C(c2ccc(C)c(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9925 |
| logD: | 5.8907 |
| logSw: | -5.7728 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.562 |
| InChI Key: | TUWQECVPBAKBSU-UHFFFAOYSA-N |