4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V031-0420 |
| Compound Name: | 4-{4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl}-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C32 H33 F N6 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)Cc2ccc(cc2)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2883 |
| logD: | 6.1656 |
| logSw: | -6.0356 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.565 |
| InChI Key: | QXFRBRVOKCCXKH-UHFFFAOYSA-N |