rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0371 |
| Compound Name: | rel-(5aR,8aR)-7-(2,6-dimethoxypyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C24 H29 N3 O4 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2ccc(nc2OC)OC)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3282 |
| logD: | 3.3282 |
| logSw: | -3.4599 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.546 |
| InChI Key: | BQQBJCTVGUOHBB-ICSRJNTNSA-N |