[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-nitrophenyl)methanone
[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V012-0347 |
| Compound Name: | [4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 533.59 |
| Molecular Formula: | C30 H27 N7 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3716 |
| logD: | 5.3611 |
| logSw: | -5.7485 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.51 |
| InChI Key: | DOSOLVPDEGNMIE-UHFFFAOYSA-N |