rel-(5aR,8aR)-1-benzyl-7-[(4-fluorophenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(4-fluorophenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(4-fluorophenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1068 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(4-fluorophenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C23 H25 F N2 O3 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(COc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4758 |
| logD: | 2.4758 |
| logSw: | -2.4135 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.156 |
| InChI Key: | LYPNBSOGWHCAEM-GHTZIAJQSA-N |