1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
Compound ID: | V010-1614 |
Compound Name: | 1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
Molecular Weight: | 532.65 |
Molecular Formula: | C32 H32 N6 O2 |
Salt: | not_available |
Smiles: | COc1ccc(CC(N2CCCN(CC2)c2c3cnn(c4ccccc4)c3nc(Cc3ccccc3)n2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.7714 |
logD: | 5.761 |
logSw: | -5.4961 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 61.145 |
InChI Key: | FBLZNZYKBYFLDK-UHFFFAOYSA-N |