{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-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}(3-chlorophenyl)methanone
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-chlorophenyl)methanone
Compound characteristics
| Compound ID: | V019-8824 |
| Compound Name: | {4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3-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(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9319 |
| logD: | 5.3861 |
| logSw: | -6.1409 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | CCZPNSUDNWRFCU-UHFFFAOYSA-N |