1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one
1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SB16-0905 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C20 H30 N2 O5 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(CCc1ccccc1OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5565 |
| logD: | 1.5565 |
| logSw: | -2.2047 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.332 |
| InChI Key: | VMHWQDGWUGLCOA-ROUUACIJSA-N |