[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](thiophen-2-yl)methanone
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SB16-0962 |
| Compound Name: | [rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C15 H22 N2 O4 S2 |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1cccs1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0855 |
| logD: | 1.0855 |
| logSw: | -2.151 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.248 |
| InChI Key: | CYYUPVSLBVZPMT-STQMWFEESA-N |