[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylthiophen-2-yl)methanone
[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S988-0420 |
| Compound Name: | [rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C17 H22 N4 O4 S2 |
| Smiles: | CCS(N1C[C@@H]2CN(C[C@@]2(C1)c1nc(C)no1)C(c1ccc(C)s1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8297 |
| logD: | 1.8297 |
| logSw: | -2.4322 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.266 |
| InChI Key: | XDVCZIXBSWMJMO-DYVFJYSZSA-N |