[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone
[rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB16-0937 |
| Compound Name: | [rel-(5aR,9aS)-1-(ethanesulfonyl)octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl](1-ethyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C16 H26 N4 O4 S |
| Smiles: | CCn1c(ccn1)C(N1CC[C@@H]2[C@H](C1)COCCN2S(CC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1123 |
| logD: | -0.1123 |
| logSw: | -1.8613 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.318 |
| InChI Key: | KBXCEUUNLHFQLJ-KBPBESRZSA-N |