2-[(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methyl]phenol
Chemical Structure Depiction of
2-[(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methyl]phenol
2-[(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methyl]phenol
Compound characteristics
| Compound ID: | V019-1317 |
| Compound Name: | 2-[(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methyl]phenol |
| Molecular Weight: | 504.64 |
| Molecular Formula: | C31 H32 N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)Cc2ccccc2O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1767 |
| logD: | 6.0236 |
| logSw: | -5.4161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.761 |
| InChI Key: | SPDBMDSDUXLOBX-UHFFFAOYSA-N |