2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-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-(3-methylbutyl)-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-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
Compound ID: | V020-2569 |
Compound Name: | 2-(benzyloxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
Molecular Weight: | 544.67 |
Molecular Formula: | C31 H37 F N6 O2 |
Salt: | not_available |
Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(COCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.5067 |
logD: | 4.8485 |
logSw: | -5.5451 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 62.66 |
InChI Key: | MJFZDZWGGAIYRB-UHFFFAOYSA-N |