{rel-(3aR,7aS)-2-benzyl-5-[(3,5-difluorophenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-benzyl-5-[(3,5-difluorophenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-benzyl-5-[(3,5-difluorophenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-1859 |
| Compound Name: | {rel-(3aR,7aS)-2-benzyl-5-[(3,5-difluorophenyl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C22 H26 F2 N2 O |
| Smiles: | C1CN(Cc2cc(cc(c2)F)F)C[C@@H]2CN(Cc3ccccc3)C[C@]12CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2955 |
| logD: | -0.2708 |
| logSw: | -3.1773 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.7135 |
| InChI Key: | NLBUGTCRSFSAGR-SIKLNZKXSA-N |