rel-(5aR,8aR)-1-benzyl-7-(2-ethylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(2-ethylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(2-ethylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0272 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(2-ethylbutanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C21 H30 N2 O2 |
| Smiles: | CCC(CC)C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1526 |
| logD: | 3.1526 |
| logSw: | -3.0132 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.456 |
| InChI Key: | WVHIIBNTKZBYOA-OALUTQOASA-N |