(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
(4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V030-4334 |
| Compound Name: | (4-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 561.64 |
| Molecular Formula: | C32 H31 N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCN(CC2)C(c2ccc(C)c(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7242 |
| logD: | 5.6224 |
| logSw: | -5.7682 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.231 |
| InChI Key: | GMJOPFANFRKEST-UHFFFAOYSA-N |