1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(phenylsulfanyl)ethan-1-one
1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V019-4623 |
| Compound Name: | 1-{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 532.68 |
| Molecular Formula: | C29 H33 F N6 O S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8361 |
| logD: | 5.2904 |
| logSw: | -5.6131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.225 |
| InChI Key: | CUAKKQIYSQWBAS-UHFFFAOYSA-N |