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]-4-phenylbutan-1-one
Chemical Structure Depiction of
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]-4-phenylbutan-1-one
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]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S988-0127 |
| Compound Name: | 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]-4-phenylbutan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(CCCc2ccccc2)=O)C2CCOCC2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6985 |
| logD: | -3.1153 |
| logSw: | -2.6885 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.038 |
| InChI Key: | MUJHTLYVGBTIQC-YKSBVNFPSA-N |