{rel-(3aR,7aR)-2-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aR)-2-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
{rel-(3aR,7aR)-2-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Compound characteristics
| Compound ID: | S858-2566 |
| Compound Name: | {rel-(3aR,7aR)-2-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol |
| Molecular Weight: | 339.48 |
| Molecular Formula: | C21 H29 N3 O |
| Smiles: | Cn1cccc1CN1CC[C@H]2CN(Cc3ccccc3)C[C@]2(C1)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2836 |
| logD: | -1.2828 |
| logSw: | -1.9273 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.6112 |
| InChI Key: | AXDITYSBJLIIDT-PZJWPPBQSA-N |