2-{[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}quinoline
Chemical Structure Depiction of
2-{[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}quinoline
2-{[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}quinoline
Compound characteristics
| Compound ID: | S988-1031 |
| Compound Name: | 2-{[rel-(3aR,6aR)-5-(ethanesulfonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methyl}quinoline |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CCS(N1C[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@]2(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0348 |
| logD: | 0.5244 |
| logSw: | -2.6205 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.158 |
| InChI Key: | UZLOMAMHMHVIQZ-UTKZUKDTSA-N |