rel-(5aR,8aR)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0086 |
| Compound Name: | rel-(5aR,8aR)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C17 H22 N2 O2 |
| Smiles: | C1CC(N[C@H]2CN(Cc3ccc4c(CCO4)c3)C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3191 |
| logD: | -0.5857 |
| logSw: | -2.1779 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.203 |
| InChI Key: | ZPCBNQHZDXXJJN-GJZGRUSLSA-N |