1-[4-(6-benzyl-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-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylsulfanyl)ethan-1-one
1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V014-5442 |
| Compound Name: | 1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 534.68 |
| Molecular Formula: | C31 H30 N6 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9927 |
| logD: | 5.9823 |
| logSw: | -5.7428 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.601 |
| InChI Key: | IUMIJPCEZHYZSP-UHFFFAOYSA-N |