(2-bromophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2-bromophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2-bromophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
Compound ID: | V003-6767 |
Compound Name: | (2-bromophenyl){4-[3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
Molecular Weight: | 547.5 |
Molecular Formula: | C28 H31 Br N6 O |
Salt: | not_available |
Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(c1ccccc1[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.5839 |
logD: | 5.0651 |
logSw: | -5.7024 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 54.753 |
InChI Key: | RDQSAWBGANOHEE-UHFFFAOYSA-N |