{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone
{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone
Compound characteristics
Compound ID: | V011-1229 |
Compound Name: | {4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-nitrophenyl)methanone |
Molecular Weight: | 499.57 |
Molecular Formula: | C27 H29 N7 O3 |
Salt: | not_available |
Smiles: | CC(C)Cc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1827 |
logD: | 5.0991 |
logSw: | -5.0881 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 87.781 |
InChI Key: | RGNDLNRMVQBXLM-UHFFFAOYSA-N |