rel-(3aR,7aR)-2-[(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-[(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0526 |
| Compound Name: | rel-(3aR,7aR)-2-[(3-methylphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 272.34 |
| Molecular Formula: | C16 H20 N2 O2 |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(Cc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3371 |
| logD: | 1.3371 |
| logSw: | -1.8602 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.467 |
| InChI Key: | CMBGLGMLCSLTGQ-KGLIPLIRSA-N |