[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
Compound ID: | S988-0176 |
Compound Name: | [rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
Molecular Weight: | 382.46 |
Molecular Formula: | C21 H26 N4 O3 |
Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2ccccc2)=O)C2CCOCC2)on1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.393 |
logD: | -4.3046 |
logSw: | -1.8595 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 59.565 |
InChI Key: | OKVJCIGBVSYLGZ-UTKZUKDTSA-N |