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 |