1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-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-(thiophen-2-yl)ethan-1-one
1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V020-2574 |
| Compound Name: | 1-{4-[6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 502.64 |
| Molecular Formula: | C27 H30 N6 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1c2cnn(c3ccccc3)c2nc(C2CCOCC2)n1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.461 |
| logD: | 4.4453 |
| logSw: | -4.1684 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.729 |
| InChI Key: | SYNAHRNUBIOCBZ-UHFFFAOYSA-N |