[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V009-2181 |
| Compound Name: | [4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl](4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 547.62 |
| Molecular Formula: | C31 H29 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3008 |
| logD: | 5.1991 |
| logSw: | -5.5019 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.231 |
| InChI Key: | XWKIATCZFBRCHQ-UHFFFAOYSA-N |