3-methyl-6-[(4-methylphenyl)methyl]-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-6-[(4-methylphenyl)methyl]-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-6-[(4-methylphenyl)methyl]-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V012-6751 |
| Compound Name: | 3-methyl-6-[(4-methylphenyl)methyl]-4-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 533.63 |
| Molecular Formula: | C31 H31 N7 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCN(CC2)Cc2cccc(c2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8473 |
| logD: | 5.7456 |
| logSw: | -5.9998 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.616 |
| InChI Key: | BJKNXKYJCFCDKK-UHFFFAOYSA-N |