rel-(3aR,7aR)-2-[(thiophen-3-yl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[(thiophen-3-yl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-[(thiophen-3-yl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0553 |
| Compound Name: | rel-(3aR,7aR)-2-[(thiophen-3-yl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 264.34 |
| Molecular Formula: | C13 H16 N2 O2 S |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(Cc1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3964 |
| logD: | 0.3964 |
| logSw: | -2.0958 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.486 |
| InChI Key: | PENLRGKCWUYBHR-MNOVXSKESA-N |