rel-(5aR,8aR)-1-benzyl-7-[2-(trifluoromethoxy)benzoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[2-(trifluoromethoxy)benzoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[2-(trifluoromethoxy)benzoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1066 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[2-(trifluoromethoxy)benzoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C23 H23 F3 N2 O3 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(c1ccccc1OC(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7994 |
| logD: | 3.7994 |
| logSw: | -4.1815 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.208 |
| InChI Key: | JPYYWPRBMMKRJU-PKOBYXMFSA-N |