1-(4-chlorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(4-chlorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0542 |
| Compound Name: | 1-(4-chlorophenyl)-5-(3,4-difluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 362.72 |
| Molecular Formula: | C16 H9 Cl F2 N4 O2 |
| Smiles: | c1cc(ccc1N1C2C(C(N(C2=O)c2ccc(c(c2)F)F)=O)N=N1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9337 |
| logD: | 2.9324 |
| logSw: | -3.3865 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | CBFMXWSMJJZNPY-UHFFFAOYSA-N |