[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dinitrophenyl)methanone
Chemical Structure Depiction of
[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dinitrophenyl)methanone
[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dinitrophenyl)methanone
Compound characteristics
| Compound ID: | V011-1258 |
| Compound Name: | [4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](3,5-dinitrophenyl)methanone |
| Molecular Weight: | 592.61 |
| Molecular Formula: | C31 H28 N8 O5 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2038 |
| logD: | 5.1021 |
| logSw: | -5.2785 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 121.244 |
| InChI Key: | ATSPZZHPMMYYAY-UHFFFAOYSA-N |