5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0556 |
| Compound Name: | 5-(3,4-difluorophenyl)-1-(2,3-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: | Cc1cccc(c1C)N1C2C(C(N(C2=O)c2ccc(c(c2)F)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.208 |
| logD: | 3.2075 |
| logSw: | -3.3475 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.653 |
| InChI Key: | AOXWQKPNYGNJOF-UHFFFAOYSA-N |