(4-chlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Chemical Structure Depiction of
(4-chlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
(4-chlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Compound characteristics
| Compound ID: | V011-2512 |
| Compound Name: | (4-chlorophenyl)(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 569.08 |
| Molecular Formula: | C32 H30 Cl F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4737 |
| logD: | 6.3719 |
| logSw: | -6.4441 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | ZIPXHLSQYZKZBO-UHFFFAOYSA-N |