rel-(5aR,8aR)-1-benzyl-7-(4-ethoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(4-ethoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(4-ethoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1143 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(4-ethoxybenzene-1-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | CCOc1ccc(cc1)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2301 |
| logD: | 3.2301 |
| logSw: | -3.4535 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.371 |
| InChI Key: | GVTWTBPASBDOES-SIKLNZKXSA-N |