rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0787 |
| Compound Name: | rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C16 H21 N3 O4 |
| Smiles: | COc1ccc(C(N2C[C@H]3CCCC(N[C@H]3C2)=O)=O)c(n1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0528 |
| logD: | 1.0528 |
| logSw: | -2.2825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.243 |
| InChI Key: | JRRCWBNZHNYFOR-JQWIXIFHSA-N |