[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(3-methylthiophen-2-yl)methyl]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-[(3-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(3-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | S988-1175 |
| Compound Name: | [rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(3-methylthiophen-2-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | Cc1ccsc1CN1C[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8979 |
| logD: | -1.1298 |
| logSw: | -2.8559 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.122 |
| InChI Key: | SKAZUCUVEGZNBX-GCJKJVERSA-N |