2-(3,5-dimethoxyphenyl)-1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-(3,5-dimethoxyphenyl)-1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB16-0912 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C20 H30 N2 O6 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(Cc1cc(cc(c1)OC)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3264 |
| logD: | 1.3264 |
| logSw: | -1.9359 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.789 |
| InChI Key: | OGCBIZPTWDKAAZ-LPHOPBHVSA-N |