[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-methylcyclopropyl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-methylcyclopropyl)methanone
[rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-methylcyclopropyl)methanone
Compound characteristics
| Compound ID: | SB16-0314 |
| Compound Name: | [rel-(5aR,9aS)-1-benzyloctahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-methylcyclopropyl)methanone |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C20 H28 N2 O2 |
| Smiles: | CC1(CC1)C(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8632 |
| logD: | 0.7918 |
| logSw: | -1.9455 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.9971 |
| InChI Key: | SNDUZGQYUMCOQW-ZWKOTPCHSA-N |