{4-[3-methyl-6-(2-methylpropyl)-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-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methyl-3-nitrophenyl)methanone
{4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V011-5517 |
| Compound Name: | {4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 527.63 |
| Molecular Formula: | C29 H33 N7 O3 |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3802 |
| logD: | 4.8615 |
| logSw: | -5.5438 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.833 |
| InChI Key: | XHPOYYLPJBNACD-UHFFFAOYSA-N |