(2,5-difluorophenyl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Chemical Structure Depiction of
(2,5-difluorophenyl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
(2,5-difluorophenyl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Compound characteristics
| Compound ID: | SB16-0942 |
| Compound Name: | (2,5-difluorophenyl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C17 H22 F2 N2 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1cc(ccc1F)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4238 |
| logD: | 1.4238 |
| logSw: | -2.4772 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.229 |
| InChI Key: | WKOLKTOLLCMNEJ-LRDDRELGSA-N |