1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenoxyethan-1-one
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V011-1853 |
| Compound Name: | 1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenoxyethan-1-one |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C33 H33 F N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(COc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6316 |
| logD: | 5.5299 |
| logSw: | -5.6299 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.453 |
| InChI Key: | SEDPDTJIIWALIN-UHFFFAOYSA-N |