(3,5-dimethoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Chemical Structure Depiction of
(3,5-dimethoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
(3,5-dimethoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Compound characteristics
| Compound ID: | S988-1274 |
| Compound Name: | (3,5-dimethoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C23 H30 N4 O5 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2cc(cc(c2)OC)OC)=O)C2CCOCC2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6977 |
| logD: | -3.9998 |
| logSw: | -1.7584 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.653 |
| InChI Key: | ATGWSKHFODIUOU-HXOBKFHXSA-N |