[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3,4-difluorophenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3,4-difluorophenyl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3,4-difluorophenyl)methanone
Compound characteristics
| Compound ID: | S858-2487 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3,4-difluorophenyl)methanone |
| Molecular Weight: | 386.44 |
| Molecular Formula: | C22 H24 F2 N2 O2 |
| Smiles: | C1CN(C[C@@]2(CN(Cc3ccccc3)C[C@H]12)CO)C(c1ccc(c(c1)F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6263 |
| logD: | -0.9862 |
| logSw: | -2.9089 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.629 |
| InChI Key: | VPUSXSJDRBZZIH-GCJKJVERSA-N |