1-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0641 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 338.34 |
| Molecular Formula: | C18 H15 F N4 O2 |
| Smiles: | Cc1ccc(cc1C)N1C2C(C(N(C2=O)c2cccc(c2)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1482 |
| logD: | 3.1477 |
| logSw: | -3.0368 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | QYVPQPXQQFTWDR-UHFFFAOYSA-N |