1-(3,5-dimethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3,5-dimethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3,5-dimethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
Compound ID: | L109-0623 |
Compound Name: | 1-(3,5-dimethoxyphenyl)-5-[3-(methylsulfanyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
Molecular Weight: | 398.44 |
Molecular Formula: | C19 H18 N4 O4 S |
Smiles: | COc1cc(cc(c1)OC)N1C2C(C(N(C2=O)c2cccc(c2)SC)=O)N=N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.7259 |
logD: | 2.7257 |
logSw: | -3.1339 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 71.041 |
InChI Key: | XLAXDXANAMJCNV-UHFFFAOYSA-N |