[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](6-methoxypyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](6-methoxypyridin-3-yl)methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](6-methoxypyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB16-0340 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](6-methoxypyridin-3-yl)methanone |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | COc1ccc(cn1)C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1275 |
| logD: | 1.1611 |
| logSw: | -2.2974 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.056 |
| InChI Key: | CIOTVJBHSZUMGG-PMACEKPBSA-N |