1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-pyrazol-1-yl)ethan-1-one
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB16-0311 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | C1CN(C[C@@H]2COCCN(Cc3ccccc3)[C@H]12)C(Cn1cccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.918 |
| logD: | -0.1534 |
| logSw: | -1.4056 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.741 |
| InChI Key: | MQMQUYSSKBHZJK-RBUKOAKNSA-N |