rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(2-methylphenyl)acetyl]-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(2-methylphenyl)acetyl]-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(2-methylphenyl)acetyl]-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | SC54-0398 |
| Compound Name: | rel-(3aR,7aS)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(2-methylphenyl)acetyl]-N-propyloctahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | CCCNC(N1C[C@@H]2CN(CC[C@@]2(C1)c1nnc(C)o1)C(Cc1ccccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7145 |
| logD: | 2.7145 |
| logSw: | -2.7345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.902 |
| InChI Key: | BMBDKDXRCGWUHF-WMZHIEFXSA-N |