rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0243 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | Cc1c(CC(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0538 |
| logD: | 2.0538 |
| logSw: | -2.1766 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.695 |
| InChI Key: | CAGVDFKBUWBNLI-ICSRJNTNSA-N |