rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0164 |
| Compound Name: | rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C23 H26 F N3 O4 |
| Smiles: | COc1ccc(C(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)c(n1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.027 |
| logD: | 3.027 |
| logSw: | -3.2068 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.546 |
| InChI Key: | XFXUARXIWWNLEU-APWZRJJASA-N |