{rel-(3aR,7aS)-2-benzyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-benzyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
{rel-(3aR,7aS)-2-benzyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Compound characteristics
| Compound ID: | S858-2436 |
| Compound Name: | {rel-(3aR,7aS)-2-benzyl-5-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol |
| Molecular Weight: | 340.47 |
| Molecular Formula: | C20 H28 N4 O |
| Smiles: | Cn1cc(CN2CC[C@H]3CN(Cc4ccccc4)C[C@]3(C2)CO)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9851 |
| logD: | -4.2729 |
| logSw: | -0.7345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.522 |
| InChI Key: | WGRPOGXAVATSHM-VQTJNVASSA-N |