5-(3,5-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,5-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,5-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0740 |
| Compound Name: | 5-(3,5-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C19 H17 F N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C2C(C1=O)N(c1ccc(C)c(c1)F)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6367 |
| logD: | 3.6363 |
| logSw: | -3.7996 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | YAGIFQLAPPAFPR-UHFFFAOYSA-N |