(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-nitrophenyl)methanone
(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V011-2524 |
| Compound Name: | (4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(4-nitrophenyl)methanone |
| Molecular Weight: | 579.63 |
| Molecular Formula: | C32 H30 F N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8046 |
| logD: | 5.7029 |
| logSw: | -5.7614 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.863 |
| InChI Key: | SICXIFVJFBSLLA-UHFFFAOYSA-N |