3-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl}benzoic acid
Chemical Structure Depiction of
3-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl}benzoic acid
3-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl}benzoic acid
Compound characteristics
| Compound ID: | S839-0123 |
| Compound Name: | 3-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridine-5-carbonyl}benzoic acid |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | Cc1nc([C@]23CN(Cc4cccnc4)C[C@@H]3CCN(C2)C(c2cccc(c2)C(O)=O)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4473 |
| logD: | 1.4473 |
| logSw: | -1.1015 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.73 |
| InChI Key: | NVWGJDTTYMSWHB-RDPSFJRHSA-N |