[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | SB16-0384 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}methanone |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3CC[C@@H]4[C@H](C3)COCCN4Cc3ccccc3)=O)o2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2699 |
| logD: | 2.3035 |
| logSw: | -3.2298 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.082 |
| InChI Key: | MLHYQLJCXCIVTQ-XUZZJYLKSA-N |