[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone
Compound characteristics
| Compound ID: | SB16-0982 |
| Compound Name: | [rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](isoquinolin-1-yl)methanone |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1c2ccccc2ccn1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2516 |
| logD: | 1.2516 |
| logSw: | -2.3713 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.776 |
| InChI Key: | RISBWYQXFRTXOE-WMZOPIPTSA-N |