[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-ethyl-1H-pyrazol-4-yl)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](1-ethyl-1H-pyrazol-4-yl)methanone
[rel-(3aR,7aR)-2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-ethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SC54-0223 |
| 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](1-ethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C23 H28 N6 O2 |
| Smiles: | CCn1cc(cn1)C(N1CC[C@@]2(CN(Cc3ccccc3)C[C@@H]2C1)c1nnc(C)o1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.189 |
| logD: | -1.985 |
| logSw: | -1.5857 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.759 |
| InChI Key: | KMFUQATXHLZCMY-NZQKXSOJSA-N |