3-[rel-(3aR,7aS)-5-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid
Chemical Structure Depiction of
3-[rel-(3aR,7aS)-5-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid
3-[rel-(3aR,7aS)-5-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | S839-0147 |
| Compound Name: | 3-[rel-(3aR,7aS)-5-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | Cc1nc([C@@]23CN(CC[C@H]3CN(C2)C(c2cccc(c2)C(O)=O)=O)Cc2ccccc2)on1 |
| Stereo: | RELATIVE |
| logP: | 2.7609 |
| logD: | 2.7609 |
| logSw: | -2.8494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.212 |
| InChI Key: | DKFVUEJHHXZRSB-SQJMNOBHSA-N |