2-(2-methylphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-methylphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-(2-methylphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB16-0474 |
| Compound Name: | 2-(2-methylphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C23 H29 N3 O2 |
| Smiles: | Cc1ccccc1CC(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4185 |
| logD: | 1.8799 |
| logSw: | -1.9661 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.464 |
| InChI Key: | FSQFSZRLARKCKZ-FCHUYYIVSA-N |