5-(3,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0866 |
| Compound Name: | 5-(3,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | Cc1ccc(cc1C)N1C2C(C(N(C2=O)c2cc(cc(c2)OC)OC)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4721 |
| logD: | 3.4718 |
| logSw: | -3.5818 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.041 |
| InChI Key: | PSHHJFGMIIAYME-UHFFFAOYSA-N |