rel-(5aR,8aR)-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0098 |
| Compound Name: | rel-(5aR,8aR)-7-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 326.39 |
| Molecular Formula: | C15 H19 F N2 O3 S |
| Smiles: | Cc1cc(ccc1F)S(N1C[C@H]2CCCC(N[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5046 |
| logD: | 1.5046 |
| logSw: | -2.5782 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.944 |
| InChI Key: | ZKCPZSYKACANTF-SMDDNHRTSA-N |