1-{4-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | SB16-0348 |
| Compound Name: | 1-{4-[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C22 H33 N3 O2 |
| Smiles: | CC(N1CCC(CC1)N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8811 |
| logD: | -0.1997 |
| logSw: | -2.0161 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.307 |
| InChI Key: | HBMPSRNYPXHKHT-RBBKRZOGSA-N |