[4-(6-benzyl-3-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-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-methyl-3-nitrophenyl)methanone
[4-(6-benzyl-3-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: | V009-2159 |
| Compound Name: | [4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 561.64 |
| Molecular Formula: | C32 H31 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5691 |
| logD: | 5.4673 |
| logSw: | -5.7235 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.562 |
| InChI Key: | WRYFCDSZXVYXMI-UHFFFAOYSA-N |