rel-(5aR,8aR)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0088 |
| Compound Name: | rel-(5aR,8aR)-7-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C15 H19 F N2 O4 S |
| Smiles: | COc1ccc(cc1S(N1C[C@H]2CCCC(N[C@H]2C1)=O)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8654 |
| logD: | 0.8654 |
| logSw: | -2.435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.574 |
| InChI Key: | QGFUQGAWNHXTEM-CMPLNLGQSA-N |