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
Available: 152 mg
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mg
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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
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