rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0830 |
| Compound Name: | rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 238.33 |
| Molecular Formula: | C13 H22 N2 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1025 |
| logD: | -2.2938 |
| logSw: | -0.6351 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.427 |
| InChI Key: | QTOQLGIDGPAXET-JQWIXIFHSA-N |