1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3-methylphenyl)ethan-1-one
1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB16-0938 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(Cc1cccc(C)c1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9519 |
| logD: | 1.9519 |
| logSw: | -2.3532 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.702 |
| InChI Key: | MZZSPHFWIBFURK-ROUUACIJSA-N |