2-(4-fluorophenoxy)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB16-1036 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C17 H23 F N2 O3 |
| Smiles: | CN1CC[C@@H]2[C@H](C1)COCCN2C(COc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9803 |
| logD: | -0.8987 |
| logSw: | -1.5339 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.216 |
| InChI Key: | HUPMFBYAMVOPLK-BBRMVZONSA-N |