rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0220 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(3,5-dimethoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C25 H30 N2 O4 |
| Smiles: | COc1cc(CC(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)cc(c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0116 |
| logD: | 3.0116 |
| logSw: | -3.2875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.745 |
| InChI Key: | XXXPAPNBQIBTLT-REWPJTCUSA-N |