2-(3-methoxyphenyl)-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-methoxyphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-(3-methoxyphenyl)-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: | SB16-0396 |
| Compound Name: | 2-(3-methoxyphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | COc1cccc(CC(N2CC[C@@H]3[C@H](C2)COCCN3Cc2cccnc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7626 |
| logD: | 1.224 |
| logSw: | -1.4205 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.008 |
| InChI Key: | KGJVWXSHZOYGDP-RBBKRZOGSA-N |