[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone
[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S232-2116 |
| Compound Name: | [rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl](5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C17 H26 N2 O3 S |
| Smiles: | Cc1ccc(C(N2CC[C@@H]3COCCN(CCOC)[C@@H]3C2)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9647 |
| logD: | 1.9204 |
| logSw: | -2.2089 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.085 |
| InChI Key: | UXHOKRPATNLBLR-CABCVRRESA-N |