(6-methoxy-1H-indol-2-yl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Chemical Structure Depiction of
(6-methoxy-1H-indol-2-yl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
(6-methoxy-1H-indol-2-yl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Compound characteristics
| Compound ID: | SB16-0484 |
| Compound Name: | (6-methoxy-1H-indol-2-yl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | COc1ccc2cc(C(N3CC[C@@H]4[C@H](C3)COCCN4Cc3cccnc3)=O)[nH]c2c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3911 |
| logD: | 1.9317 |
| logSw: | -2.5922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.885 |
| InChI Key: | HUGADDTVJAGOSK-AUSIDOKSSA-N |