2-(benzyloxy)-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
2-(benzyloxy)-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V016-6674 |
| Compound Name: | 2-(benzyloxy)-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)ethan-1-one |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C34 H35 F N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(COCc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7075 |
| logD: | 5.6057 |
| logSw: | -5.6864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.388 |
| InChI Key: | CNHMFBFODVSCHK-UHFFFAOYSA-N |