1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-ethylhexan-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}-2-ethylhexan-1-one
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | V019-4694 |
| Compound Name: | 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-ethylhexan-1-one |
| Molecular Weight: | 508.68 |
| Molecular Formula: | C29 H41 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCCC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8599 |
| logD: | 6.3142 |
| logSw: | -5.9489 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.024 |
| InChI Key: | STDMNMHDTJXNPT-QFIPXVFZSA-N |