1-[4-(6-butyl-3-methyl-1-phenyl-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-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylsulfanyl)ethan-1-one
1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V015-7935 |
| Compound Name: | 1-[4-(6-butyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C29 H34 N6 O S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6855 |
| logD: | 5.1398 |
| logSw: | -5.5786 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.225 |
| InChI Key: | GCOCPAFONAHVEM-UHFFFAOYSA-N |