rel-(3aR,7aR)-2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0501 |
| Compound Name: | rel-(3aR,7aR)-2-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C18 H21 N3 O4 |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(c1ccc(Cc2c(C)noc2C)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9252 |
| logD: | 0.9252 |
| logSw: | -1.8701 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.603 |
| InChI Key: | IRVQIPUGNKQYPB-OLZOCXBDSA-N |