3-(1H-indol-3-yl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one
Chemical Structure Depiction of
3-(1H-indol-3-yl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one
3-(1H-indol-3-yl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB16-0421 |
| Compound Name: | 3-(1H-indol-3-yl)-1-[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]propan-1-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C25 H30 N4 O2 |
| Smiles: | C(Cc1c[nH]c2ccccc12)C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0239 |
| logD: | 1.4853 |
| logSw: | -2.0986 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.335 |
| InChI Key: | AGORHSKOGAARKI-XUZZJYLKSA-N |