1-(3-chloro-4-methylphenyl)-5-(3,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-5-(3,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3-chloro-4-methylphenyl)-5-(3,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
Compound ID: | L109-0873 |
Compound Name: | 1-(3-chloro-4-methylphenyl)-5-(3,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
Molecular Weight: | 400.82 |
Molecular Formula: | C19 H17 Cl N4 O4 |
Smiles: | Cc1ccc(cc1[Cl])N1C2C(C(N(C2=O)c2cc(cc(c2)OC)OC)=O)N=N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5944 |
logD: | 3.594 |
logSw: | -3.7626 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 71.041 |
InChI Key: | SQHSTPRZBMRPDB-UHFFFAOYSA-N |