rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(oxane-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(oxane-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(oxane-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0190 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(oxane-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 374.45 |
| Molecular Formula: | C21 H27 F N2 O3 |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)C(C1CCOCC1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.0007 |
| logD: | 2.0007 |
| logSw: | -2.2629 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.285 |
| InChI Key: | VLVRZHQHOBZGCN-MJGOQNOKSA-N |