{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone
Chemical Structure Depiction of
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone
{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone
Compound characteristics
| Compound ID: | V020-2591 |
| Compound Name: | {4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone |
| Molecular Weight: | 555.05 |
| Molecular Formula: | C31 H28 Cl F N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0503 |
| logD: | 5.9486 |
| logSw: | -6.1865 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.481 |
| InChI Key: | DHHXQCAUEYGVLH-UHFFFAOYSA-N |