5-[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]-1-methyl-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
5-[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]-1-methyl-1,3-dihydro-2H-indol-2-one
5-[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]-1-methyl-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | CM2432-0927 |
| Compound Name: | 5-[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]-1-methyl-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | CC(C)CN1CC[C@@]2(CN(C[C@@H]2C1)C(c1ccc2c(CC(N2C)=O)c1)=O)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.233 |
| logD: | -1.5099 |
| logSw: | -2.0254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.684 |
| InChI Key: | OSQSDVAQCWIGQH-PGRDOPGGSA-N |