1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-chlorophenoxy)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-(4-chlorophenoxy)ethan-1-one
1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-chlorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | V019-6373 |
| Compound Name: | 1-[4-(6-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(4-chlorophenoxy)ethan-1-one |
| Molecular Weight: | 553.06 |
| Molecular Formula: | C31 H29 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8857 |
| logD: | 5.8752 |
| logSw: | -6.1424 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.1 |
| InChI Key: | PNWBNZOTRCTWDQ-UHFFFAOYSA-N |