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 |