3-chloro-2,2-dimethyl-1-{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Chemical Structure Depiction of
3-chloro-2,2-dimethyl-1-{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
3-chloro-2,2-dimethyl-1-{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V010-5201 |
| Compound Name: | 3-chloro-2,2-dimethyl-1-{4-[6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 469.03 |
| Molecular Formula: | C25 H33 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)C(C(C)(C)C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7053 |
| logD: | 5.6217 |
| logSw: | -5.5954 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.671 |
| InChI Key: | HBFIIQHDFKHEHY-UHFFFAOYSA-N |