1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0734 |
| Compound Name: | 1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C22 H20 N6 O3 S |
| Smiles: | Cc1ccc(cc1C)c1nc(CN2C3C(C(N(C3=O)c3cccc(c3)SC)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5297 |
| logD: | 3.5295 |
| logSw: | -3.7354 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.715 |
| InChI Key: | VJGFFWBKWLUTQT-UHFFFAOYSA-N |