rel-(5aR,8aR)-7-[(2-fluorophenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(2-fluorophenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(2-fluorophenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0058 |
| Compound Name: | rel-(5aR,8aR)-7-[(2-fluorophenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C16 H19 F N2 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(Cc1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3266 |
| logD: | 1.3266 |
| logSw: | -1.9101 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.354 |
| InChI Key: | HXXSLOXYUGFXPN-GXTWGEPZSA-N |