1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-chloro-2-phenylethan-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-chloro-2-phenylethan-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-chloro-2-phenylethan-1-one
Compound characteristics
| Compound ID: | V009-0111 |
| 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-chloro-2-phenylethan-1-one |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C29 H32 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(C(c1ccccc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1506 |
| logD: | 5.6049 |
| logSw: | -5.777 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | BYJKRAXBOIRVDG-AREMUKBSSA-N |