[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrolo[3,4-c]pyridine-2,5(3H,4H)-diyl]bis[(pyridin-3-yl)methanone]
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrolo[3,4-c]pyridine-2,5(3H,4H)-diyl]bis[(pyridin-3-yl)methanone]
[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrolo[3,4-c]pyridine-2,5(3H,4H)-diyl]bis[(pyridin-3-yl)methanone]
Compound characteristics
| Compound ID: | S839-0166 |
| Compound Name: | [rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrolo[3,4-c]pyridine-2,5(3H,4H)-diyl]bis[(pyridin-3-yl)methanone] |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C22 H22 N6 O3 |
| Smiles: | Cc1nc([C@@]23CN(CC[C@H]3CN(C2)C(c2cccnc2)=O)C(c2cccnc2)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1779 |
| logD: | -0.178 |
| logSw: | -0.4364 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.756 |
| InChI Key: | OIVUKTJLNVUGGF-PGRDOPGGSA-N |