rel-(5aR,8aR)-7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0042 |
| Compound Name: | rel-(5aR,8aR)-7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C19 H23 N3 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3C[C@H]4CCCC(N[C@H]4C3)=O)=O)o2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3732 |
| logD: | 1.3732 |
| logSw: | -2.0164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.489 |
| InChI Key: | ZDAFDYLPLZTCET-BBRMVZONSA-N |