rel-(3aR,7aS)-5-benzyl-2-[(3-methylthiophen-2-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aS)-5-benzyl-2-[(3-methylthiophen-2-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aS)-5-benzyl-2-[(3-methylthiophen-2-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0343 |
| Compound Name: | rel-(3aR,7aS)-5-benzyl-2-[(3-methylthiophen-2-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 340.49 |
| Molecular Formula: | C20 H24 N2 O S |
| Smiles: | [H][C@]12CN(Cc3c(C)ccs3)C[C@]2([H])CC(N(Cc2ccccc2)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1229 |
| logD: | -0.5805 |
| logSw: | -2.9838 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.7804 |
| InChI Key: | PCQHWHNMEWGMNU-QZTJIDSGSA-N |