[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-nitrophenyl)methanone
[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V031-0290 |
| Compound Name: | [4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl](4-nitrophenyl)methanone |
| Molecular Weight: | 513.6 |
| Molecular Formula: | C28 H31 N7 O3 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1282 |
| logD: | 4.5824 |
| logSw: | -5.1501 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.134 |
| InChI Key: | SJMZRFLXNAHLEM-UHFFFAOYSA-N |