[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-6-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-6-yl)methanone
[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-6-yl)methanone
Compound characteristics
| Compound ID: | S232-1875 |
| Compound Name: | [rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](quinolin-6-yl)methanone |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C24 H26 N4 O2 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1cccnc1)C(c1ccc2c(cccn2)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4042 |
| logD: | 1.4006 |
| logSw: | -1.6259 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.755 |
| InChI Key: | KQHQGHRJXZFRJK-GGAORHGYSA-N |