2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S988-0115 |
| Compound Name: | 2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(Cc2cccc(c2)OC)=O)C2CCOCC2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9096 |
| logD: | -3.9041 |
| logSw: | -2.3435 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.581 |
| InChI Key: | NKKXMPXUYQWMMZ-JPYJTQIMSA-N |