rel-(5aR,8aR)-7-(4-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(4-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(4-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0004 |
| Compound Name: | rel-(5aR,8aR)-7-(4-methoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C15 H20 N2 O4 S |
| Smiles: | COc1ccc(cc1)S(N1C[C@H]2CCCC(N[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9915 |
| logD: | 0.9915 |
| logSw: | -2.4319 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.488 |
| InChI Key: | YPWQLTGDZQKJCC-SMDDNHRTSA-N |