1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Chemical Structure Depiction of
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V009-0053 |
| Compound Name: | 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C27 H37 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCCC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCCC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9208 |
| logD: | 5.375 |
| logSw: | -5.5441 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.497 |
| InChI Key: | GBEIHJBAHWDMSI-UHFFFAOYSA-N |