{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone
Chemical Structure Depiction of
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone
Compound characteristics
| Compound ID: | V009-1609 |
| Compound Name: | {4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-chlorophenyl)methanone |
| Molecular Weight: | 521.04 |
| Molecular Formula: | C28 H30 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7671 |
| logD: | 5.2213 |
| logSw: | -5.7696 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | WLFRZKILGCAWSP-UHFFFAOYSA-N |