5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0714 |
| Compound Name: | 5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C20 H16 N6 O3 S |
| Smiles: | CSc1cccc(c1)N1C(C2C(C1=O)N(Cc1nc(c3ccccc3)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4405 |
| logD: | 2.4403 |
| logSw: | -2.9051 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.715 |
| InChI Key: | LZBLRKVOZHAFNU-UHFFFAOYSA-N |