rel-(5aR,8aR)-1-benzyl-7-(4-fluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(4-fluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(4-fluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1047 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(4-fluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C21 H23 F N2 O3 S |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8902 |
| logD: | 2.8902 |
| logSw: | -3.3488 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.247 |
| InChI Key: | OJFWFXZSKFJRJC-FXAWDEMLSA-N |