1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one
1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SB16-0368 |
| Compound Name: | 1-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C25 H32 N2 O3 |
| Smiles: | COc1ccccc1CCC(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2716 |
| logD: | 2.2002 |
| logSw: | -3.2191 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.577 |
| InChI Key: | KUPYHILFWOGDPU-XZOQPEGZSA-N |