2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Chemical Structure Depiction of
2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V020-2216 |
| Compound Name: | 2-ethyl-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C28 H39 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4707 |
| logD: | 6.0269 |
| logSw: | -5.9217 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.024 |
| InChI Key: | KBBXKROMKPSMNK-NRFANRHFSA-N |