[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](oxan-4-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](oxan-4-yl)methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](oxan-4-yl)methanone
Compound characteristics
| Compound ID: | SB16-0343 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](oxan-4-yl)methanone |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | C1COCCC1C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9232 |
| logD: | 0.8518 |
| logSw: | -2.1101 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.575 |
| InChI Key: | GGEBBGCXMOKJFU-VQTJNVASSA-N |