(adamantan-1-yl)[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(adamantan-1-yl)[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
(adamantan-1-yl)[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | V019-4626 |
| Compound Name: | (adamantan-1-yl)[4-(6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 560.74 |
| Molecular Formula: | C35 H40 N6 O |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)C(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1971 |
| logD: | 7.0954 |
| logSw: | -6.0254 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.514 |
| InChI Key: | WNPSZIGCCOCGBY-UHFFFAOYSA-N |