1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S996-0089 |
| Compound Name: | 1-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C23 H29 N3 O5 |
| Smiles: | CC(N1C[C@H]2CCN(C[C@]2(C1)CO)C(c1c(COc2ccc(C)cc2)c(C)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6437 |
| logD: | 1.6437 |
| logSw: | -1.7913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.744 |
| InChI Key: | JHNWCCKMVPKESF-WZONZLPQSA-N |