(5-bromopyridin-3-yl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Chemical Structure Depiction of
(5-bromopyridin-3-yl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
(5-bromopyridin-3-yl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Compound characteristics
| Compound ID: | SB16-0909 |
| Compound Name: | (5-bromopyridin-3-yl)[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone |
| Molecular Weight: | 432.33 |
| Molecular Formula: | C16 H22 Br N3 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1cc(cnc1)[Br])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8789 |
| logD: | 0.8789 |
| logSw: | -1.6397 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.837 |
| InChI Key: | MATVKTQFVVXINO-DZGCQCFKSA-N |