[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][4-(propan-2-yl)phenyl]methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][4-(propan-2-yl)phenyl]methanone
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][4-(propan-2-yl)phenyl]methanone
Compound characteristics
| Compound ID: | SB16-0959 |
| Compound Name: | [rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][4-(propan-2-yl)phenyl]methanone |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C20 H30 N2 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1ccc(cc1)C(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2872 |
| logD: | 2.2872 |
| logSw: | -2.5029 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.229 |
| InChI Key: | FNISVFWHRMLNLR-OALUTQOASA-N |