[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB16-0320 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](4-methyl-1,3-oxazol-5-yl)methanone |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | Cc1c(C(N2CC[C@@H]3[C@H](C2)COCCN3Cc2ccccc2)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4854 |
| logD: | 0.519 |
| logSw: | -1.6597 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.388 |
| InChI Key: | CJTCOMXWKXDUCC-ZWKOTPCHSA-N |