2-(benzyloxy)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-(benzyloxy)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB16-0461 |
| Compound Name: | 2-(benzyloxy)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | C1CN(C[C@@H]2COCCN(Cc3cccnc3)[C@H]12)C(COCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2109 |
| logD: | 0.6722 |
| logSw: | -0.9694 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.899 |
| InChI Key: | OMXGUXDTUYNUOS-FCHUYYIVSA-N |