rel-(5aR,8aR)-1-benzyl-7-(5-bromofuran-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(5-bromofuran-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(5-bromofuran-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1046 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(5-bromofuran-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(c1ccc(o1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8905 |
| logD: | 2.8905 |
| logSw: | -3.0859 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.11 |
| InChI Key: | JVRVHJACYKLAGA-JKSUJKDBSA-N |