1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-indol-3-yl)ethan-1-one
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB16-0335 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-2-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C25 H29 N3 O2 |
| Smiles: | C(C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O)c1c[nH]c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1328 |
| logD: | 2.0614 |
| logSw: | -3.0341 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.817 |
| InChI Key: | CRCZJSAQNAFVHV-XUZZJYLKSA-N |