3-chloro-2,2-dimethyl-1-{4-[6-(oxan-4-yl)-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-(oxan-4-yl)-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-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V008-4104 |
| Compound Name: | 3-chloro-2,2-dimethyl-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}propan-1-one |
| Molecular Weight: | 497.04 |
| Molecular Formula: | C26 H33 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C[Cl])C(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(C2CCOCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0148 |
| logD: | 4.9991 |
| logSw: | -4.6156 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.51 |
| InChI Key: | LDWYGQXEAYNDDI-UHFFFAOYSA-N |