rel-(3aR,7aR)-2-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0543 |
| Compound Name: | rel-(3aR,7aR)-2-{5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(c1c(COc2ccc(C)cc2)c(C)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4696 |
| logD: | 1.4696 |
| logSw: | -1.9569 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.454 |
| InChI Key: | UNNWLNMNGKCPRS-CABCVRRESA-N |