[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethylphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethylphenyl)methanone
[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | SC54-0258 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2,4-dimethylphenyl)methanone |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | Cc1ccc(C(N2CC[C@@]3(CN(Cc4ccccc4)C[C@@H]3C2)c2nnc(C)o2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4905 |
| logD: | 0.3165 |
| logSw: | -3.4861 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.258 |
| InChI Key: | CWLGOJOPTUOXEO-BKMJKUGQSA-N |