5-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0751 |
| Compound Name: | 5-(3,5-dimethylphenyl)-1-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | CCOc1ccc(cc1)N1C2C(C(N(C2=O)c2cc(C)cc(C)c2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3752 |
| logD: | 3.375 |
| logSw: | -3.4276 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.077 |
| InChI Key: | BSTPQPCGVYXRTA-UHFFFAOYSA-N |