[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylfuran-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylfuran-3-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylfuran-3-yl)methanone
Compound characteristics
| Compound ID: | S858-2544 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylfuran-3-yl)methanone |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C21 H26 N2 O3 |
| Smiles: | Cc1c(cco1)C(N1CC[C@H]2CN(Cc3ccccc3)C[C@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8754 |
| logD: | -1.7372 |
| logSw: | -2.4226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.862 |
| InChI Key: | PZYMWXYDWJVJHI-NQIIRXRSSA-N |