rel-(5aR,8aR)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0259 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 416.51 |
| Molecular Formula: | C22 H25 F N2 O3 S |
| Smiles: | Cc1cc(ccc1F)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3565 |
| logD: | 3.3565 |
| logSw: | -3.6905 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.247 |
| InChI Key: | SJWTYRYLCRDQFX-GHTZIAJQSA-N |