rel-(5aR,8aR)-7-(3,4-dimethylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3,4-dimethylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(3,4-dimethylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0793 |
| Compound Name: | rel-(5aR,8aR)-7-(3,4-dimethylbenzoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C17 H22 N2 O2 |
| Smiles: | Cc1ccc(cc1C)C(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6694 |
| logD: | 1.6694 |
| logSw: | -2.2037 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.881 |
| InChI Key: | HIKMOUJGKXWDLV-GJZGRUSLSA-N |