2-(3-chlorophenyl)-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-(3-chlorophenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-(3-chlorophenyl)-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: | SB16-0440 |
| Compound Name: | 2-(3-chlorophenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 399.92 |
| Molecular Formula: | C22 H26 Cl N3 O2 |
| Smiles: | C(C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3627 |
| logD: | 1.824 |
| logSw: | -2.8917 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.464 |
| InChI Key: | AFGCEDHPJDVSSD-PZJWPPBQSA-N |