rel-(5aR,8aR)-1-benzyl-7-(cyclopropanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(cyclopropanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(cyclopropanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0214 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(cyclopropanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 348.46 |
| Molecular Formula: | C18 H24 N2 O3 S |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)S(C1CC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7856 |
| logD: | 1.7856 |
| logSw: | -2.3667 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.77 |
| InChI Key: | RVKRVHBYJNAWLZ-DOTOQJQBSA-N |