1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethan-1-one
1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S997-0539 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethan-1-one |
| Molecular Weight: | 398.93 |
| Molecular Formula: | C23 H27 Cl N2 O2 |
| Smiles: | C(C(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2817 |
| logD: | -0.7697 |
| logSw: | -3.2547 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.102 |
| InChI Key: | XSUOCDGIDRQDND-NFBKMPQASA-N |