2-cyclopropyl-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-cyclopropyl-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-cyclopropyl-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: | SB16-0410 |
| Compound Name: | 2-cyclopropyl-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C19 H27 N3 O2 |
| Smiles: | C1CC1CC(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8916 |
| logD: | 0.3529 |
| logSw: | -0.6916 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.988 |
| InChI Key: | KPBPRWHRLNNHSP-ZWKOTPCHSA-N |