rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0293 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(1-methyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C19 H24 N4 O3 S |
| Smiles: | Cn1cc(nc1)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9769 |
| logD: | 0.9769 |
| logSw: | -2.153 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.658 |
| InChI Key: | SXIUEXVNPGBGLQ-DLBZAZTESA-N |