1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S858-2420 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C23 H28 N2 O3 |
| Smiles: | C1CN(C[C@@]2(CN(Cc3ccccc3)C[C@H]12)CO)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1749 |
| logD: | -1.4957 |
| logSw: | -2.0682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.601 |
| InChI Key: | PHHHUHXXXFSHFO-OFNKIYASSA-N |