2-chloro-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
2-chloro-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
2-chloro-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | V003-0361 |
| Compound Name: | 2-chloro-1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 531.06 |
| Molecular Formula: | C29 H31 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(C2CCOCC2)n1)C(C(c1ccccc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.428 |
| logD: | 5.4122 |
| logSw: | -5.7266 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.238 |
| InChI Key: | FMMZYRDTKMLXHH-RUZDIDTESA-N |