[rel-(3aR,7aS)-5-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone
[rel-(3aR,7aS)-5-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S839-0157 |
| Compound Name: | [rel-(3aR,7aS)-5-(2-hydroxyethyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](pyridin-3-yl)methanone |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C18 H23 N5 O3 |
| Smiles: | Cc1nc([C@@]23CN(CC[C@H]3CN(C2)C(c2cccnc2)=O)CCO)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3118 |
| logD: | -1.9467 |
| logSw: | -0.3887 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.228 |
| InChI Key: | KQFOFZIMXLQVJH-MAUKXSAKSA-N |