1-(3-chloro-4-fluorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3-chloro-4-fluorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0543 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 380.71 |
| Molecular Formula: | C16 H8 Cl F3 N4 O2 |
| Smiles: | c1cc(c(cc1N1C(C2C(C1=O)N(c1ccc(c(c1)[Cl])F)N=N2)=O)F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9031 |
| logD: | 2.9009 |
| logSw: | -3.3688 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | BMBMUXAJFVRMRJ-UHFFFAOYSA-N |