rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propan-2-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propan-2-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propan-2-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0934 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(propan-2-yl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C18 H25 F N2 O |
| Smiles: | CC(C)N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5454 |
| logD: | 0.99 |
| logSw: | -2.5328 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.5922 |
| InChI Key: | YLUBVNUUDSORKD-WBVHZDCISA-N |