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 |