[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone
Compound characteristics
| Compound ID: | SB16-0900 |
| Compound Name: | [rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](5-methoxy-1H-indol-2-yl)methanone |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1cc2cc(ccc2[nH]1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.817 |
| logD: | 1.817 |
| logSw: | -2.7913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.122 |
| InChI Key: | QWZCDDIGHLCJES-KXBFYZLASA-N |