1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB16-0428 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 371.5 |
| Molecular Formula: | C20 H25 N3 O2 S |
| Smiles: | C(C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)=O)c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2129 |
| logD: | 0.6743 |
| logSw: | -1.445 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.483 |
| InChI Key: | OGUQGDOVGAFUTA-PKOBYXMFSA-N |