rel-(3aR,7aS)-5-benzyl-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aS)-5-benzyl-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aS)-5-benzyl-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0369 |
| Compound Name: | rel-(3aR,7aS)-5-benzyl-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C20 H26 N4 O |
| Smiles: | [H][C@]12CN(Cc3cnn(C)c3C)C[C@]2([H])CC(N(Cc2ccccc2)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3293 |
| logD: | -6.4934 |
| logSw: | -1.4738 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.248 |
| InChI Key: | RHAHRVICGOBCLU-IEBWSBKVSA-N |