2-(benzyloxy)-1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(benzyloxy)-1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V009-0065 |
| Compound Name: | 2-(benzyloxy)-1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 530.65 |
| Molecular Formula: | C30 H35 F N6 O2 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(COCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1817 |
| logD: | 4.6359 |
| logSw: | -5.1401 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.66 |
| InChI Key: | ZMMFXVHWKPAHQJ-UHFFFAOYSA-N |