rel-(5aR,8aR)-1-benzyl-7-(3-phenylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(3-phenylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(3-phenylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1109 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(3-phenylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C24 H28 N2 O2 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2536 |
| logD: | 3.2536 |
| logSw: | -3.2431 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.657 |
| InChI Key: | VNCDTVYGULRYAU-VXKWHMMOSA-N |