rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methyl-1,3-oxazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methyl-1,3-oxazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methyl-1,3-oxazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0997 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(2-methyl-1,3-oxazole-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C20 H22 F N3 O3 |
| Smiles: | Cc1nc(co1)C(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7901 |
| logD: | 1.7901 |
| logSw: | -2.022 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.153 |
| InChI Key: | AQDXRAWXLDPFPJ-QAPCUYQASA-N |