{rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}(phenyl)methanone
Chemical Structure Depiction of
{rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}(phenyl)methanone
{rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | S839-0135 |
| Compound Name: | {rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}(phenyl)methanone |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | Cc1nc([C@@]23CN(CC[C@H]3CN(C2)C(c2ccccc2)=O)Cc2cccnc2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5425 |
| logD: | 0.7008 |
| logSw: | -1.1376 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.322 |
| InChI Key: | DLTJAANYYJNKBE-NZQKXSOJSA-N |