2-(2-chlorophenyl)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one
2-(2-chlorophenyl)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB16-1046 |
| Compound Name: | 2-(2-chlorophenyl)-1-[rel-(5aR,9aS)-7-methyloctahydropyrido[4,3-e][1,4]oxazepin-1(5H)-yl]ethan-1-one |
| Molecular Weight: | 322.83 |
| Molecular Formula: | C17 H23 Cl N2 O2 |
| Smiles: | CN1CC[C@@H]2[C@H](C1)COCCN2C(Cc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9515 |
| logD: | 0.0725 |
| logSw: | -2.4407 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.717 |
| InChI Key: | QTCSYALDSYVXAG-HOCLYGCPSA-N |