1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-chloro-2,2-dimethylpropan-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]-3-chloro-2,2-dimethylpropan-1-one
1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-chloro-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | V012-0359 |
| Compound Name: | 1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-chloro-2,2-dimethylpropan-1-one |
| Molecular Weight: | 503.05 |
| Molecular Formula: | C28 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | CC(C)(C[Cl])C(N1CCCN(CC1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8941 |
| logD: | 5.8837 |
| logSw: | -5.5758 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.4 |
| InChI Key: | VVIANVLUXFHFSK-UHFFFAOYSA-N |