rel-(3aR,7aS)-5-benzyl-2-(oxan-4-yl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aS)-5-benzyl-2-(oxan-4-yl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aS)-5-benzyl-2-(oxan-4-yl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0301 |
| Compound Name: | rel-(3aR,7aS)-5-benzyl-2-(oxan-4-yl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 314.43 |
| Molecular Formula: | C19 H26 N2 O2 |
| Smiles: | [H][C@]12CN(C[C@]2([H])CC(N(Cc2ccccc2)C1)=O)C1CCOCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.618 |
| logD: | -3.7552 |
| logSw: | -1.7887 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2235 |
| InChI Key: | ZKIJOJBSTDUKNW-IAGOWNOFSA-N |