1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB16-0367 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C25 H32 N2 O4 |
| Smiles: | COc1cc(CC(N2CC[C@@H]3[C@H](C2)COCCN3Cc2ccccc2)=O)cc(c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0415 |
| logD: | 1.9702 |
| logSw: | -3.2347 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.034 |
| InChI Key: | LZZOYGOVICBKAV-XUZZJYLKSA-N |