2-(4-chlorophenoxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
2-(4-chlorophenoxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V020-2228 |
| Compound Name: | 2-(4-chlorophenoxy)-1-{4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 537.04 |
| Molecular Formula: | C28 H30 Cl F N6 O2 |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3398 |
| logD: | 4.896 |
| logSw: | -5.8153 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.724 |
| InChI Key: | GKERUWIXUVSZIP-UHFFFAOYSA-N |