rel-(5aR,8aR)-7-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0005 |
| Compound Name: | rel-(5aR,8aR)-7-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(CCc1conc1c1ccccc1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.453 |
| logD: | 1.453 |
| logSw: | -1.9079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.354 |
| InChI Key: | GZTNBRDUECPWJW-RDJZCZTQSA-N |