1-(2,4-difluorophenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(2,4-difluorophenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(2,4-difluorophenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0745 |
| Compound Name: | 1-(2,4-difluorophenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 356.33 |
| Molecular Formula: | C18 H14 F2 N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C2C(C1=O)N(c1ccc(cc1F)F)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9632 |
| logD: | 2.9627 |
| logSw: | -3.1864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.653 |
| InChI Key: | SUORPZXKDQLHMM-UHFFFAOYSA-N |