1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V020-2584 |
| Compound Name: | 1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C29 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(C2CCOCC2)n1)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3831 |
| logD: | 4.3674 |
| logSw: | -4.1283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.21 |
| InChI Key: | UZIVETOFAAXXQJ-UHFFFAOYSA-N |