2-{[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol
Chemical Structure Depiction of
2-{[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol
2-{[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol
Compound characteristics
| Compound ID: | V028-5899 |
| Compound Name: | 2-{[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}phenol |
| Molecular Weight: | 490.61 |
| Molecular Formula: | C30 H30 N6 O |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)Cc1ccccc1O |
| Stereo: | ACHIRAL |
| logP: | 5.7533 |
| logD: | 5.6003 |
| logSw: | -5.7171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.761 |
| InChI Key: | TXKOPAKADXMKQN-UHFFFAOYSA-N |