2-(pyridin-3-yl)-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-(pyridin-3-yl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one
2-(pyridin-3-yl)-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: | SB16-0405 |
| Compound Name: | 2-(pyridin-3-yl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]ethan-1-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | C(C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3743 |
| logD: | -0.1644 |
| logSw: | -0.5592 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.982 |
| InChI Key: | XCYAIVDOBZQCSH-VQTJNVASSA-N |