{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V012-0340 |
| Compound Name: | {4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 565.61 |
| Molecular Formula: | C31 H28 F N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3174 |
| logD: | 5.2156 |
| logSw: | -5.522 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.863 |
| InChI Key: | GBISDQDHWOBMIX-UHFFFAOYSA-N |