rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0113 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C19 H25 F N2 O2 |
| Smiles: | CC(C)C(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3733 |
| logD: | 2.3733 |
| logSw: | -2.6233 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.456 |
| InChI Key: | MNKAVANSPVYUTC-WBVHZDCISA-N |