2-ethyl-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one
Compound characteristics
| Compound ID: | V019-7093 |
| Compound Name: | 2-ethyl-1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)hexan-1-one |
| Molecular Weight: | 556.73 |
| Molecular Formula: | C33 H41 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccc(C)cc2)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3858 |
| logD: | 7.284 |
| logSw: | -5.9279 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | NMXMMJPKFWNTTC-SANMLTNESA-N |