rel-(5aR,8aR)-1-benzyl-7-(1,2-dimethyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(1,2-dimethyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(1,2-dimethyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1044 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(1,2-dimethyl-1H-imidazole-4-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | Cc1nc(cn1C)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.3205 |
| logD: | 1.3205 |
| logSw: | -2.1312 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.597 |
| InChI Key: | JRORPXPPCCYJSQ-ZWKOTPCHSA-N |