2-methyl-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one
2-methyl-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB16-0470 |
| Compound Name: | 2-methyl-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one |
| Molecular Weight: | 317.43 |
| Molecular Formula: | C18 H27 N3 O2 |
| Smiles: | CC(C)C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9827 |
| logD: | 0.4441 |
| logSw: | -0.7661 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.263 |
| InChI Key: | PDZAAMWXDURSSY-DLBZAZTESA-N |