[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB16-0969 |
| Compound Name: | [rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C15 H23 N3 O5 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1c(C)nco1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2298 |
| logD: | -0.2298 |
| logSw: | -1.2561 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.144 |
| InChI Key: | DSUYXPXDXQYQAF-STQMWFEESA-N |