[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][1-(4-methoxyphenyl)cyclopropyl]methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][1-(4-methoxyphenyl)cyclopropyl]methanone
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][1-(4-methoxyphenyl)cyclopropyl]methanone
Compound characteristics
| Compound ID: | SB16-0913 |
| Compound Name: | [rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl][1-(4-methoxyphenyl)cyclopropyl]methanone |
| Molecular Weight: | 422.54 |
| Molecular Formula: | C21 H30 N2 O5 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)C(C1(CC1)c1ccc(cc1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5296 |
| logD: | 1.5296 |
| logSw: | -2.2478 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.025 |
| InChI Key: | YVUXFPTXHONCIM-LPHOPBHVSA-N |