rel-(5aR,8aR)-7-(3,5-difluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3,5-difluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(3,5-difluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0833 |
| Compound Name: | rel-(5aR,8aR)-7-(3,5-difluorobenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 330.35 |
| Molecular Formula: | C14 H16 F2 N2 O3 S |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)S(c1cc(cc(c1)F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2601 |
| logD: | 1.2601 |
| logSw: | -2.2133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.944 |
| InChI Key: | FBQUWUFNHXMUHG-TVQRCGJNSA-N |