{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
Chemical Structure Depiction of
{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone
Compound characteristics
Compound ID: | V026-2097 |
Compound Name: | {4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-fluorophenyl)methanone |
Molecular Weight: | 458.54 |
Molecular Formula: | C26 H27 F N6 O |
Salt: | not_available |
Smiles: | Cc1ccc(c(C)c1)n1c2c(cn1)c(nc(C)n2)N1CCCN(CC1)C(c1cccc(c1)F)=O |
Stereo: | ACHIRAL |
logP: | 5.1643 |
logD: | 5.0551 |
logSw: | -5.0427 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 52.721 |
InChI Key: | SOFGKCYONWJFDG-UHFFFAOYSA-N |