2-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-(2,5-dimethoxyphenyl)-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: | SB16-0472 |
| Compound Name: | 2-(2,5-dimethoxyphenyl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | COc1ccc(c(CC(N2CC[C@@H]3[C@H](C2)COCCN3Cc2cccnc2)=O)c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7303 |
| logD: | 1.1917 |
| logSw: | -1.4218 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.639 |
| InChI Key: | FEGLDIHXVHHMGZ-RBBKRZOGSA-N |